Methyl 4-[4-[[1-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]-1-methylethyl]thio]-2,6-bis(1,1-dimethylethyl)phenoxy]butyrate (HCID 18756961)

기본 정보

표준 SMILES: COC(=O)CCCOc1c(C(C)(C)C)cc(SC(C)(C)Sc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1C(C)(C)C
InChIKey: OXVPCHHNYOVCSQ-UHFFFAOYSA-N
분자식: C36H56O4S2
평균 분자량: 617 g/mol
단동위원소 질량: 616.36200261

이름 및 식별자

우선 이름: Methyl 4-[4-[[1-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]-1-methylethyl]thio]-2,6-bis(1,1-dimethylethyl)phenoxy]butyrate
IUPAC: methyl 4-[2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropan-2-ylsulfanyl]phenoxy]butanoate

이름 및 동의어

SCHEMBL6000617OXVPCHHNYOVCSQ-UHFFFAOYSA-Nmethyl 4-[4-[[1 -[[3,5-bis( 1,1 -dimethylethyl)-4-hydroxyphenyl]thio]-1-methylethyl]thio]-2,6-bis( 1,1dimethylethyl)phenoxy]butyrateMethyl 4-[4-[[1-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]-1-methylethyl]thio]-2,6-bis(1,1 -dimethylethyl)phenoxy]butyratemethyl 4-[4-[[1-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]-1-methylethyl]thio]-2,6-bis(1,1-dimethylethyl)phenoxy]butyrate

데이터베이스 식별자

PubChem CID: 18756961

물성

구조 계산 물성

XLogP: 11.8
극성 표면적: 106 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 14
무거운 원자 수: 42
형식 전하: 0
복잡도: 810

화합물 노트

불러오는 중…