1,3-Dioxane-5-methanol, 5-ethyl-2,2-dimethyl-

HCID 11816152CAS 20761-68-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCC1(CO)COC(C)(C)OC1
InChIKey: RUUJECRHYIYRSH-UHFFFAOYSA-N
분자식: C9H18O3
평균 분자량: 174.24 g/mol
단동위원소 질량: 174.12559444

이름 및 식별자

우선 이름: 1,3-Dioxane-5-methanol, 5-ethyl-2,2-dimethyl-
IUPAC: (5-ethyl-2,2-dimethyl-1,3-dioxan-5-yl)methanol

이름 및 동의어

20761-68-61,3-Dioxane-5-methanol, 5-ethyl-2,2-dimethyl-DTXSID80473475RefChem:414773DTXCID20424289606-629-2(5-ethyl-2,2-dimethyl-1,3-dioxan-5-yl)methanolMFCD082748895-ethyl-5-hydroxymethyl-2,2-dimethyl-1,3-dioxaneSCHEMBL1108447RUUJECRHYIYRSH-UHFFFAOYSA-NAKOS006287207

이름 더 보기

SY375478DB-4139725-Ethyl-2,2-dimethyl-1,3-dioxane-5-methanol2,2-dimethyl-5-ethyl-5-hydroxymethyl-1,3-dioxane5-hydroxymethyl-5-ethyl-2,2-dimethyl-1,3-dioxane2,2-dimethyl-5-ethyl-5-(hydroxymethyl)-1,3-dioxane

데이터베이스 식별자

CAS: 20761-68-6
PubChem CID: 11816152
DTXSID: DTXSID80473475
EC Number: 606-629-2
Nikkaji: J1.765.968E

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 38.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 144

안전 및 규제

유해성 정보

Regulatory InformationStatus: Active Update: 12-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23242

관련 반응

17건

반응 기록 만들기

HRID 112095 반응식

HRID 112095반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 134575 반응식

HRID 134575생성물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 155940 반응식

HRID 155940생성물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 306015 반응식

HRID 306015반응물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 670381 반응식

HRID 670381반응물로Training data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 704128 반응식

HRID 704128반응물로uspto-grants-1991_01

HRID 704137 반응식

HRID 704137반응물로uspto-grants-1991_01

HRID 931692 반응식

HRID 931692생성물로uspto-grants-2016_03

연결된 노트

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1,3-Dioxane-5-methanol, 5-ethyl-2,2-dimethyl- (HCID 11816152)｜Huagongshe