2-Methyl-1,3-dioxane-5,5-dimethanol

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H14O4
Molecular Weight	162.1837
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-Methyl-1,3-dioxane-5,5-dimethanol

Structure Search

SMILES

CC1OCC(CO)(CO)CO1

InChI

InChIKey=QYSOFXYWZFPSCB-UHFFFAOYSA-N

InChI=1S/C7H14O4/c1-6-10-4-7(2-8,3-9)5-11-6/h6,8-9H,2-5H2,1H3

HIDE SMILES / InChI

Molecular Formula	C7H14O4
Molecular Weight	162.1837
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:45:47 GMT 2025` Edited by `admin` on `Tue Apr 01 19:45:47 GMT 2025`
Record UNII	LG53NEA7WN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,3-Dioxane-5,5-dimethanol, 2-methyl-

Preferred Name

English

2-Methyl-1,3-dioxane-5,5-dimethanol

Systematic Name

English

[5-(hydroxymethyl)-2-methyl-1,3-dioxan-5-yl]methanol

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID80205091

Created by admin on Tue Apr 01 19:45:47 GMT 2025 , Edited by admin on Tue Apr 01 19:45:47 GMT 2025

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FDA UNII

LG53NEA7WN

Created by admin on Tue Apr 01 19:45:47 GMT 2025 , Edited by admin on Tue Apr 01 19:45:47 GMT 2025

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CAS

5653-70-3

Created by admin on Tue Apr 01 19:45:47 GMT 2025 , Edited by admin on Tue Apr 01 19:45:47 GMT 2025

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ECHA (EC/EINECS)

227-100-9

Created by admin on Tue Apr 01 19:45:47 GMT 2025 , Edited by admin on Tue Apr 01 19:45:47 GMT 2025

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PUBCHEM

79739

Created by admin on Tue Apr 01 19:45:47 GMT 2025 , Edited by admin on Tue Apr 01 19:45:47 GMT 2025

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