3,7-Dimethyl-2,6-octadienol

HCID 4458CAS 624-15-7

기본 정보

표준 SMILES: CC(C)=CCCC(C)=CCO
InChIKey: GLZPCOQZEFWAFX-UHFFFAOYSA-N
분자식: C10H18O
평균 분자량: 154.25 g/mol
단동위원소 질량: 154.1357652

개요

3,7-dimethylocta-2,6-dien-1-ol has been reported in Eremothecium ashbyi, Boesenbergia rotunda, and other organisms with data available.

이름 및 식별자

우선 이름: 3,7-Dimethyl-2,6-octadienol
IUPAC: 3,7-dimethylocta-2,6-dien-1-ol

이름 및 동의어

3,7-Dimethyl-2,6-octadienolDTXSID7041380RefChem:272597DTXCID50213803,7-Dimethyl-2,6-octadien-1-olCitrol68311-14-81-Octanol, 3,7-dimethyl-, tetradehydro deriv.Geraniol PureSpectrum_000401Spectrum2_000784Spectrum3_001450

이름 더 보기

Spectrum4_000441NCIStruc1_000041NCIStruc2_000251SCHEMBL19826KBioGR_000822KBioSS_000881DivK1c_000193SCHEMBL532264

데이터베이스 식별자

CAS: 624-15-7、68311-14-8
PubChem CID: 4458
DTXSID: DTXSID7041380
EC Number: 210-831-2、269-750-6

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 4
무거운 원자 수: 11
형식 전하: 0
복잡도: 150

실험 및 물리화학적 성질

FragrancesFragrance Ingredient (3,7-Dimethyl-2,6-octadien-1-ol) -> IFRA transparency List

LogP3.56

화학 및 산업

용도 및 제조

Use ClassificationFragrance Ingredients

General Manufacturing Information1-Octanol, 3,7-dimethyl-, tetradehydro deriv.: INACTIVE

관련 반응

44건

반응 기록 만들기

HRID 99514반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 112150반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 113275반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 119524반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 126088반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 146710반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 151914반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 167419반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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