메틸2-(3-옥소-2-펜틸-1-사이클로펜테닐)아세테이트

1-Cyclopentene-1-acetic acid, 3-oxo-2-pentyl-, methyl ester

HCID 90634

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 24863-70-5
표준 SMILES: CCCCCC1=C(CC(=O)OC)CCC1=O
InChIKey: GJYFXPRHTPSOMM-UHFFFAOYSA-N
분자식: C13H20O3
평균 분자량: 224.3 g/mol
단동위원소 질량: 224.1412445

개요

See also: Methyl (3-oxo-2-pentylcyclopent-1-EN-1-YL)acetate (annotation moved to).

이름 및 식별자

우선 이름: 1-Cyclopentene-1-acetic acid, 3-oxo-2-pentyl-, methyl ester
IUPAC: methyl 2-(3-oxo-2-pentylcyclopenten-1-yl)acetate
현지명: 메틸2-(3-옥소-2-펜틸-1-사이클로펜테닐)아세테이트
영어명: methyl 2-(3-oxo-2-pentyl-1-cyclopentenyl)acetate
분자식: C13H20O3
분자량: 224.3

이름 및 동의어

24863-70-51-Cyclopentene-1-acetic acid, 3-oxo-2-pentyl-, methyl estermethyl 2-(3-oxo-2-pentylcyclopent-1-en-1-yl)acetateDTXSID10179574EC 607-449-7methyl 3-oxo-2-pentyl-1-cyclopentene-1-acetateRefChem:431758DTXCID70102065607-449-7methyl 2-(3-oxo-2-pentylcyclopenten-1-yl)acetatemethyl (3-oxo-2-pentylcyclopent-1-en-1-yl)acetateSCHEMBL2142693

이름 더 보기

메틸2-(3-옥소-2-펜틸-1-사이클로펜테닐)아세테이트methyl 2-(3-oxo-2-pentyl-1-cyclopentenyl)acetate3-Oxo-2-pentyl-1-cyclopentene-1-acetic acid methyl ester2-Pentyl-3-oxo-1-cyclopentene-1-acetic acid methyl ester

NS00007225methyl 3-oxo-2-pentyl-1-cyclopentene-acetatemethyl-3-oxo-2-pentyl-1-cyclopentene-acetatemethyl(2-pentyl-3-keto-1-cyclopentenyl-)acetatemethyl (2-pentyl-3-keto-1-cyclopentenyl-)acetatemethyl2-(3-oxo-2-pentylcyclopent-1-en-1-yl)acetate

데이터베이스 식별자

CAS: 24863-70-5
PubChem CID: 90634
DTXSID: DTXSID10179574
EC Number: 607-449-7
Nikkaji: J144.669J

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 43.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 7
무거운 원자 수: 16
형식 전하: 0
복잡도: 302

물리화학적 성질

끓는 점: 262 ℃ · 262℃ at 101.3kPa
밀도: 1.027 · 1.027[at 20℃]
증기압: 0.029 Pa · 0.029Pa at 20℃
물리적 상태: 액체
LogP: 2.43 at · 2.43 at 20℃ and pH6.38-8.55
표면장력: 44.2 mN/m · 44.2mN/m at 1g/L and 20℃
EPA: 1 · 1-Cyclopentene-1-acetic acid, 3-oxo-2-pentyl-, methyl ester (24863-70-5)