CAS 502-44-3|epsilon-CAPROLACTONE|oxepan-2-one|caprolactone|6-hexanolactone|Caprolactone|1-oxa-2-oxocycloheptane|oxepan-2-one|hexano-6-lactone|epsilon-caprolactone|2-氧杂环庚酮|6-Caprolactone monome...

基本信息

化学结构

分子式

C₆H₁₀O₂

分子量

114.1424

精确质量

114.06807956

电荷

InChI

InChI=1S/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H2

InChIKey

PAPBSGBWRJIAAV-UHFFFAOYSA-N

Canonic Smiles

O=C1CCCCCO1

Isomeric Smiles

O=C1CCCCCO1

计算属性

JChem

LogD (pH = 7.4)

1.04

LogD (pH = 5.5)

1.04

Log P

1.04

可自由旋转的化学键

质子供体

质子受体

里宾斯基五规则

true

Acid pKa

-7.03

极化表面积

26.30

极化性

11.99

摩尔折射率

29.51

LOG S

-0.61

数据来源

名称和标识

别名

epsilon-CAPROLACTONE6-hexanolactoneCaprolactoneoxepan-2-one1-oxa-2-oxocycloheptanehexano-6-lactoneepsilon-caprolactone2-氧杂环庚酮2-Oxepanone6-己内酯6-Caprolactone monomerε-Caprolactoneε-己内酯6-己内酯单体epsilon-Caprolactoneepsilon-Caprolactonehexano-6-lactone2-oxohexamethylene oxidehexanoic acid, epsilon-lactone1-Oxa-2-oxocycloheptane2-oxacycloheptanonehexan-6-olide6-hydroxyhexanoic acid, epsilon-lactone6-hexanolactonecaprolactone6-hydroxyhexanoic acid lactone6-Hexanolide2-Oxepanoneepsilon-caprolactone monomerhexano-6-lactone1,6-hexanolideOxepan-2-oneEpsilon-Caprolactone

IUPAC标准名

oxepan-2-one

IUPAC传统名

caprolactone

名称和标识

数据登录号

EC号

207-938-1

CAS号

502-44-3

KEGG ID

C01880