기본 정보
- CAS
20079-30-5- 표준 SMILES
CC/C=C\C#CC(=O)c1ccc(/C=C/C(=O)OC)o1- InChIKey
NQZCQIDFBYCBAU-JHGYFVHDSA-N- 분자식
- C15H14O4
- 평균 분자량
- 258.27 g/mol
- 단동위원소 질량
- 258.08920892
개요
Wyerone is a heterocyclic fatty acid.
이름 및 식별자
- 우선 이름
- Wyerone
- IUPAC
- methyl (E)-3-[5-[(Z)-hept-4-en-2-ynoyl]furan-2-yl]prop-2-enoate
이름 및 동의어
WyeroneUNII-J61878UBBTJ61878UBBTmethyl (E)-3-[5-[(Z)-hept-4-en-2-ynoyl]furan-2-yl]prop-2-enoate2-Furanacrylic acid, 5-(4-hepten-2-ynoyl)-, methyl ester, (E,Z)-2-Propenoic acid, 3-(5-(1-oxo-4-hepten-2-ynyl)-2-furanyl)-, methyl ester, (E,Z)-3-(5-hept-4-en-2-ynoyl-furan-2-yl)-acrylic acid methyl estermethyl (2E)-3-{5-[(4Z)-hept-4-en-2-ynoyl]-2-furyl}acrylate2-propenoic acid, 3-[5-[(4Z)-1-oxo-4-hepten-2-ynyl]-2-furanyl]-, methyl ester, (2E)-methyl (E)-3-[5-[(Z)-hept-4-en-2-ynoyl]-2-furyl]prop-2-enoate2-PROPENOIC ACID, 3-(5-((4Z)-1-OXO-4-HEPTEN-2-YNYL)-2-FURANYL)-, METHYL ESTER, (2E)-methyl (2E)-3-(5-((4Z)-hept-4-en-2-ynoyl)-2-furyl)acrylate
이름 더 보기
methyl (E)-3-(5-((Z)-hept-4-en-2-ynoyl)-2-furyl)prop-2-enoateMethyl (2Z)-3-(5-((4Z)-hept-4-en-2-ynoyl)furan-2-yl)prop-2-enoic acidMethyl (2Z)-3-{5-[(4Z)-hept-4-en-2-ynoyl]furan-2-yl}prop-2-enoic acidmethyl (E)-3-(5-((Z)-hept-4-en-2-ynoyl)furan-2-yl)prop-2-enoateRefChem:195080InChI=1/C15H14O4/c1-3-4-5-6-7-13(16)14-10-8-12(19-14)9-11-15(17)18-2/h4-5,8-11H,3H2,1-2H3/b5-4-,11-920079-30-5C08465
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 56.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 447
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