2-Hexyl-5,5-dimethyl-1,3-dioxane

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H24O2
Molecular Weight	200.3178
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-Hexyl-5,5-dimethyl-1,3-dioxane

Structure Search

SMILES

CCCCCCC1OCC(C)(C)CO1

InChI

InChIKey=VWWWESAUUDUBMA-UHFFFAOYSA-N

InChI=1S/C12H24O2/c1-4-5-6-7-8-11-13-9-12(2,3)10-14-11/h11H,4-10H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C12H24O2
Molecular Weight	200.3178
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 `Sat Dec 16 12:33:48 GMT 2023` Edited by `admin` on `Sat Dec 16 12:33:48 GMT 2023`
Record UNII	K8585Q3D5L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-Hexyl-5,5-dimethyl-1,3-dioxane

Systematic Name

English

5,5-Dimethyl-2-hexyl-1,3-dioxane

Systematic Name

English

1,3-Dioxane, 2-hexyl-5,5-dimethyl-

Common Name

English

AI3-31932

Code

English

NSC-40970

Code

English

Code System Code Type Description

ECHA (EC/EINECS)

236-271-9

Created by admin on Sat Dec 16 12:33:49 GMT 2023 , Edited by admin on Sat Dec 16 12:33:49 GMT 2023

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NSC

40970

Created by admin on Sat Dec 16 12:33:49 GMT 2023 , Edited by admin on Sat Dec 16 12:33:49 GMT 2023

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EPA CompTox

DTXSID10157736

Created by admin on Sat Dec 16 12:33:49 GMT 2023 , Edited by admin on Sat Dec 16 12:33:49 GMT 2023

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FDA UNII

K8585Q3D5L

Created by admin on Sat Dec 16 12:33:49 GMT 2023 , Edited by admin on Sat Dec 16 12:33:49 GMT 2023

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PUBCHEM

83289

Created by admin on Sat Dec 16 12:33:49 GMT 2023 , Edited by admin on Sat Dec 16 12:33:49 GMT 2023

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CAS

13273-90-0

Created by admin on Sat Dec 16 12:33:49 GMT 2023 , Edited by admin on Sat Dec 16 12:33:49 GMT 2023

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