2,5,5-TRIMETHYL-2-(3-METHYLBUTYL)-1,3-DIOXANE

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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 2,5,5-TRIMETHYL-2-(3-METHYLBUTYL)-1,3-DIOXANE

Structure Search

SMILES

CC(C)CCC1(C)OCC(C)(C)CO1

InChI

InChIKey=KJWBXOPQYZIDPU-UHFFFAOYSA-N

InChI=1S/C12H24O2/c1-10(2)6-7-12(5)13-8-11(3,4)9-14-12/h10H,6-9H2,1-5H3

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 `Tue Apr 01 19:23:03 GMT 2025` Edited by `admin` on `Tue Apr 01 19:23:03 GMT 2025`
Record UNII	LBE4PA6JBD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,3-DIOXANE, 2,5,5-TRIMETHYL-2-(3-METHYLBUTYL)-

Preferred Name

English

2,5,5-TRIMETHYL-2-(3-METHYLBUTYL)-1,3-DIOXANE

Systematic Name

English

Code System Code Type Description

FDA UNII

LBE4PA6JBD

Created by admin on Tue Apr 01 19:23:03 GMT 2025 , Edited by admin on Tue Apr 01 19:23:03 GMT 2025

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CAS

13273-85-3

Created by admin on Tue Apr 01 19:23:03 GMT 2025 , Edited by admin on Tue Apr 01 19:23:03 GMT 2025

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PUBCHEM

83288

Created by admin on Tue Apr 01 19:23:03 GMT 2025 , Edited by admin on Tue Apr 01 19:23:03 GMT 2025

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ECHA (EC/EINECS)

236-270-3

Created by admin on Tue Apr 01 19:23:03 GMT 2025 , Edited by admin on Tue Apr 01 19:23:03 GMT 2025

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EPA CompTox

DTXSID50157735

Created by admin on Tue Apr 01 19:23:03 GMT 2025 , Edited by admin on Tue Apr 01 19:23:03 GMT 2025

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