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Details

Stereochemistry MIXED
Molecular Formula C13H24O3
Molecular Weight 228.3279
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3,7-Dimethylocta-2,6-diene-1,1-diol propane-1,2-diol monoether

SMILES

CC(O)COC(O)\C=C(/C)CCC=C(C)C

InChI

InChIKey=AEGVJFPZIIBWLZ-DHZHZOJOSA-N
InChI=1S/C13H24O3/c1-10(2)6-5-7-11(3)8-13(15)16-9-12(4)14/h6,8,12-15H,5,7,9H2,1-4H3/b11-8+

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
2,6-Octadiene-1,1-diol, 3,7-dimethyl-, monoether with 1,2-propanediol
Preferred Name English
3,7-Dimethylocta-2,6-diene-1,1-diol propane-1,2-diol monoether
Systematic Name English
3,7-Dimethylocta-2,6-diene-1,1-diol, monoether with propane-1,2-diol
Systematic Name English
Code System Code Type Description
FDA UNII
VFA888S47B
Created by admin on Wed Apr 02 18:54:50 GMT 2025 , Edited by admin on Wed Apr 02 18:54:50 GMT 2025
PRIMARY
CAS
94139-20-5
Created by admin on Wed Apr 02 18:54:50 GMT 2025 , Edited by admin on Wed Apr 02 18:54:50 GMT 2025
NON-SPECIFIC SUBSTITUTION
PUBCHEM
44150460
Created by admin on Wed Apr 02 18:54:50 GMT 2025 , Edited by admin on Wed Apr 02 18:54:50 GMT 2025
PRIMARY
NIH
NCATS
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