5,5-DIMETHYL-1,3-DIOXANE-2-PROPANAL

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H16O3
Molecular Weight	172.2215
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5,5-DIMETHYL-1,3-DIOXANE-2-PROPANAL

Structure Search

SMILES

CC1(C)COC(CCC=O)OC1

InChI

InChIKey=WLUYPGQZOFXAFA-UHFFFAOYSA-N

InChI=1S/C9H16O3/c1-9(2)6-11-8(12-7-9)4-3-5-10/h5,8H,3-4,6-7H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C9H16O3
Molecular Weight	172.2215
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 18:10:58 GMT 2023` Edited by `admin` on `Sat Dec 16 18:10:58 GMT 2023`
Record UNII	WZX3Q35QJ2
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

5,5-DIMETHYL-1,3-DIOXANE-2-PROPANAL

Systematic Name

English

1,3-DIOXANE-2-PROPANAL, 5,5-DIMETHYL-

Systematic Name

English

3-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)PROPANAL

Systematic Name

English

3-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-1-PROPANAL

Common Name

English

5,5-DIMETHYL-1,3-DIOXANE-2-PROPIONALDEHYDE

Systematic Name

English

Code System Code Type Description

FDA UNII

WZX3Q35QJ2

Created by admin on Sat Dec 16 18:10:58 GMT 2023 , Edited by admin on Sat Dec 16 18:10:58 GMT 2023

PRIMARY

ECHA (EC/EINECS)

261-395-5

Created by admin on Sat Dec 16 18:10:58 GMT 2023 , Edited by admin on Sat Dec 16 18:10:58 GMT 2023

PRIMARY

CAS

58697-03-3

Created by admin on Sat Dec 16 18:10:58 GMT 2023 , Edited by admin on Sat Dec 16 18:10:58 GMT 2023

PRIMARY

EPA CompTox

DTXSID20207392

Created by admin on Sat Dec 16 18:10:58 GMT 2023 , Edited by admin on Sat Dec 16 18:10:58 GMT 2023

PRIMARY

PUBCHEM

93882

Created by admin on Sat Dec 16 18:10:58 GMT 2023 , Edited by admin on Sat Dec 16 18:10:58 GMT 2023

PRIMARY