2-(3,3-Dimethoxy-2-pentylcyclopentyl)acetic acid

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 2-(3,3-Dimethoxy-2-pentylcyclopentyl)acetic acid
• 英文别名: 2-(3,3-dimethoxy-2-pentylcyclopentyl)acetic acid
• 化学式: C₁₄H₂₆O₄
• 分子量: 258.35
• InChiKey: PLMKLMWLWCYNDP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  18
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• CONTROL AND REPELLENCY OF BED BUGS
  申请人：Bedoukian Research, Inc.

  公开号：EP2846635A1

  公开（公告）日：2015-03-18
• [EN] CONTROL AND REPELLENCY OF BED BUGS<br/>[FR] LUTTE CONTRE LES PUNAISES DES LITS ET RÉPULSION DES PUNAISES DES LITS
  申请人：BEDOUKIAN RES INC

  公开号：WO2013165478A1

  公开（公告）日：2013-11-07

  Control or repellency of bed bugs is accomplished by bringing the bed bugs into contact with at least one of the compounds of the structure (I); wherein R is selected from -OH, -OC(O)R4, -OR6, -(OR6)2, wherein each R6 is independently selected from an alkyl group containing from 1 to 4 carbon atoms and R4 is a branched or straight chain saturated or unsaturated hydrocarbyl group with zero to two double bonds and from 1 to 15 carbon atoms; X is O or CH2, with the proviso that when X is O R can only be =0; each Z is independently selected from (CH) and (CH2) y is a numeral selected from 1 and 2; R1 is selected from H or a branched or straight chain saturated or unsaturated hydrocarbyl group with zero to two double bonds and from 1 to 15 carbon atoms. R2 is selected from H and a branched or straight chain saturated or unsaturated hydrocarbyl group with zero to three double bonds and from 1 to 15 carbon atoms. R3 is selected from H, a branched or straight chain, saturated or unsaturated hydrocarbyl group with zero to three double bonds and from 1 to 15 carbon atoms, -(CH2)nOH, -C(O)OR5, -CH2C(O)OR7, - CH2C(O)R8, -C(O)NR9R10, -CH2C(O)NR11R12 where each of R5, R7, R8, R9, R10, R11 and R12 is independently selected from H and a branched or straight chain, saturated or unsaturated hydrocarbyl group with zero to three double bonds and from 1 to 15 carbon atoms, and n is an integer of from 1 to 12; and the bond between the 2 and 3 positions in the ring structure may be a single or a double bond, and wherein the compounds of structure (1) contain from 11 to 20 total carbon atoms, except where R is =O, X = CH2 and y is 1 the compounds of structure (I) contain from 13 to 20 total carbon atoms in the compounds, wherein the compounds of structure (1) contain from 1 1 to 20 total carbon atoms, except where R is =O, X = CH2 and y is 1 the compounds of structure (I) contain from 13 to 20 total carbon atoms in the compounds, wherein the compounds of structure (1) contain from 11 to 20 total carbon atoms, except where R is =0, X = CH2 and y is 1 the compounds of structure (I) contain from 13 to 20 total carbon atoms in the compounds.