기본 정보
- 표준 SMILES
COC(=O)Cc1ccc(C#Cc2cc(C3CC3)c3c(c2)C(C)(C)CC(C)(C)O3)cc1- InChIKey
YDKFVCRQPKAOLB-UHFFFAOYSA-N- 분자식
- C27H30O3
- 평균 분자량
- 402.5 g/mol
이름 및 식별자
- 우선 이름
- [4-(8-Cyclopropyl-2,2,4,4-tetramethyl-chroman-6-ylethynyl)phenyl]acetic acid methyl ester
- IUPAC
- methyl 2-[4-[2-(8-cyclopropyl-2,2,4,4-tetramethyl-3H-chromen-6-yl)ethynyl]phenyl]acetate
이름 및 동의어
SCHEMBL5734508YDKFVCRQPKAOLB-UHFFFAOYSA-N[4-(8-Cyclopropyl-2,2,4,4-tetramethyl-chroman-6-yl-ethynyl) phenyl]aceticacid methyl ester[4-(8-Cyclopropyl-2,2,4,4-tetramethyl-chroman-6-yl-ethynyl)phenyl]acetic Acid Methyl Ester[4-(8-cyclopropyl-2,2,4,4-tetramethyl-chroman-6-ylethynyl) phenyl]acetic acid methyl ester[4-(8-cyclopropyl-2,2,4,4-tetramethyl-chroman-6-ylethynyl)phenyl] acetic acid methyl ester[4-(8-cyclopropyl-2,2,4,4-tetramethyl-chroman-6-ylethynyl)phenyl]acetic acid methyl ester[4-(8-Cyclopropyl-2,2,4,4-tetramethyl-chroman-6-yl-ethynyl) phenyl] acetic acid methyl ester[4-(8-Cyclopropyl-2,2,4,4-tetramethyl-chroman-6-yl-ethynyl) phenyl]acetic Acid Methyl Ester[4-(8-Cyclopropyl-2,2,4,4-tetramethyl-chroman-6-yl-ethynyl)phenyl] acetic acid methyl ester[4-(8-cyclopropyl-2,2,4,4-tetramethyl-chroman-6-ylethynyl) phenyl] acetic acid methyl ester
데이터베이스 식별자
- PubChem CID
- 69547849
물성
구조 계산 물성
- XLogP
- 6.5
- 극성 표면적
- 35.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 696
관련 반응
35건
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