Ethanone, 1-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)-

HCID 87186CAS 17610-24-1

기본 정보

표준 SMILES: CC(=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
InChIKey: QZADYGNSQCABPT-UHFFFAOYSA-N
분자식: C17H24O
평균 분자량: 244.37 g/mol
단동위원소 질량: 244.18271539

이름 및 식별자

우선 이름: Ethanone, 1-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)-
IUPAC: 1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethanone
영어명: 1-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthyl)ethan-1-one
분자식: C17H24O
분자량: 244.37

이름 및 동의어

17610-24-1Ethanone, 1-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)-EINECS 241-585-4DTXSID70662215',6',7',8'-Tetrahydro-3',5',5',8',8'-pentamethyl-2'-acetonaphthoneRefChem:592507DTXCID10356007-acetyl-1,1,4,4,6-pentamethyltetralin1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethanone1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanoneUTK86UR5V61-(5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthyl)ethan-1-one

이름 더 보기

6-ACETYL-1,1,4,4,7-PENTAMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENE1,1,4,4,6-Pentamethyl-7-acetyl-1,2,3,4-tetrahydronaphthalene"1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethanone"1-[(5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethylnaphthalen)-2-yl]ethanone

1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethan-1-one1-(5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)ethanoneUNII-UTK86UR5V6SCHEMBL3298635MFCD00156733AKOS024324691DA-30886NS00025788

데이터베이스 식별자

CAS: 17610-24-1
PubChem CID: 87186
DTXSID: DTXSID7066221
UNII: UTK86UR5V6
EC Number: 241-585-4
Nikkaji: J287.087H

물성

구조 계산 물성

XLogP: 5.1
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 18
형식 전하: 0
복잡도: 340

물리화학적 성질

녹는점: 62 · 62-63.5 °C(Solv: ethanol (64-17-5))
끓는 점: 130 · 130-132 °C(Press: 2 Torr)
밀도: 0.936 · 0.936±0.06 g/cm3(Predicted)
LogP: 4.527 · 4.527 (est)
EPA: 1 · Ethanone, 1-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)- (17610-24-1)