Ethyl 2-(3-oxo-2-pentylcyclopentyl)acetate;methyl 2-(3-oxo-2-pentylcyclopentyl)acetate

• 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: Ethyl 2-(3-oxo-2-pentylcyclopentyl)acetate;methyl 2-(3-oxo-2-pentylcyclopentyl)acetate
• 英文别名: ethyl 2-(3-oxo-2-pentylcyclopentyl)acetate;methyl 2-(3-oxo-2-pentylcyclopentyl)acetate
• 化学式: C27H46O6
• 分子量: 466.6
• InChiKey: RSMBKWTUFMKDAA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.84
• 重原子数：
  33
• 可旋转键数：
  15
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  86.7
• 氢给体数：
  0
• 氢受体数：
  6

文献信息

• CONTROL AND REPELLENCY OF BITING FLIES, HOUSE FLIES, TICKS, ANTS, FLEAS, BITING MIDGES, COCKROACHES, SPIDERS AND STINK BUGS
  申请人：Bedoukian Research, Inc.

  公开号：EP2846636A1

  公开（公告）日：2015-03-18
• [EN] CONTROL AND REPELLENCY OF BITING FLIES, HOUSE FLIES, TICKS, ANTS, FLEAS, BITING MIDGES, COCKROACHES, SPIDERS AND STINK BUGS<br/>[FR] ÉLIMINATION ET RÉPULSION DES MOUCHES PIQUEUSES, DES MOUCHES DOMESTIQUES, DES TIQUES, DES FOURMIS, DES PUCES, DES MOUCHERONS PIQUEURS, DES BLATTES, DES ARAIGNÉES ET DES PUNAISES DES BOIS
  申请人：BEDOUKIAN RES INC

  公开号：WO2013165479A1

  公开（公告）日：2013-11-07

  Control and repellency of biting flies, house flies, ticks, ants, fleas, biting midges, cockroaches, spiders and stink bugs is obtained by contact of the insects with at least one of the compounds of the structure (I) wherein R is -OH, =O, -OC(O)R4, -OR6, or -(OR6)2, wherein each R6 is independently 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 =O: each Z is independently (CH) or (CH2); y is a numeral selected from 1 and 2; R1 is 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 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 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, or -CH2C(O)NR11 R12 where each of R5, R7, R8, R9, R10, R11 and R12 is independently H or 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 n integer of from 1 to 12;