U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C13H26O2
Molecular Weight 214.3443
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (3,3-DIMETHOXY-2,2-DIMETHYLPROPYL)CYCLOHEXANE

SMILES

COC(OC)C(C)(C)CC1CCCCC1

InChI

InChIKey=WPUQECAAGCCMEZ-UHFFFAOYSA-N
InChI=1S/C13H26O2/c1-13(2,12(14-3)15-4)10-11-8-6-5-7-9-11/h11-12H,5-10H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C13H26O2
Molecular Weight 214.3443
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 19:11:41 GMT 2025
Edited
by admin
on Tue Apr 01 19:11:41 GMT 2025
Record UNII
4K2OR9A61V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(3,3-DIMETHOXY-2,2-DIMETHYLPROPYL)CYCLOHEXANE
Systematic Name English
CYCLOHEXANE, (3,3-DIMETHOXY-2,2-DIMETHYLPROPYL)-
Preferred Name English
Code System Code Type Description
EPA CompTox
DTXSID30241065
Created by admin on Tue Apr 01 19:11:41 GMT 2025 , Edited by admin on Tue Apr 01 19:11:41 GMT 2025
PRIMARY
ECHA (EC/EINECS)
303-763-0
Created by admin on Tue Apr 01 19:11:41 GMT 2025 , Edited by admin on Tue Apr 01 19:11:41 GMT 2025
PRIMARY
PUBCHEM
3024047
Created by admin on Tue Apr 01 19:11:41 GMT 2025 , Edited by admin on Tue Apr 01 19:11:41 GMT 2025
PRIMARY
CAS
94213-58-8
Created by admin on Tue Apr 01 19:11:41 GMT 2025 , Edited by admin on Tue Apr 01 19:11:41 GMT 2025
PRIMARY
FDA UNII
4K2OR9A61V
Created by admin on Tue Apr 01 19:11:41 GMT 2025 , Edited by admin on Tue Apr 01 19:11:41 GMT 2025
PRIMARY