3,7-dimethyloctan-1-ol;ethanol

C12H28O2 — CID 175190567

IUPAC3,7-dimethyloctan-1-ol;ethanol
SMILESCC(C)CCCC(C)CCO.CCO
InChIInChI=1S/C10H22O.C2H6O/c1-9(2)5-4-6-10(3)7-8-11;1-2-3/h9-11H,4-8H2,1-3H3;3H,2H2,1H3
InChIKeyOZTMBKTVKDTGTF-UHFFFAOYSA-N
MW204.35 g/mol
LogP2.83
Rot. Bonds6

About 3,7-dimethyloctan-1-ol;ethanol

3,7-dimethyloctan-1-ol;ethanol (PubChem CID 175190567) has the molecular formula C12H28O2 and a molecular weight of 204.35 g/mol. Its IUPAC name is 3,7-dimethyloctan-1-ol;ethanol.

Molecular Properties

Compound Name3,7-dimethyloctan-1-ol;ethanol
PubChem CID175190567
Molecular FormulaC12H28O2
Molecular Weight204.35 g/mol
Exact Mass204.21
IUPAC Name3,7-dimethyloctan-1-ol;ethanol
SMILESCC(C)CCCC(C)CCO.CCO
InChIInChI=1S/C10H22O.C2H6O/c1-9(2)5-4-6-10(3)7-8-11;1-2-3/h9-11H,4-8H2,1-3H3;3H,2H2,1H3
InChIKeyOZTMBKTVKDTGTF-UHFFFAOYSA-N
XLogP2.83
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.35
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,7-dimethyloctan-1-ol;ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,7-dimethyloctan-1-ol
CID 7792
tris(3,7-dimethyloctan-1-ol);oxotungsten
CID 11181447
2,6,10,15,19,23-hexamethyltetracosane;16-methylheptadecan-1-ol
CID 174818152
(2R,6R,10R)-2,6,10,14-tetramethylpentadecan-1-ol
CID 170847769
(3S,7S,11S,15S)-3,7,11,15-tetramethyldocosan-1-ol
CID 71733863
3-methyl-6-sulfanylhexan-1-ol
CID 87063689
2,6,10,14,18,22,26-heptamethyloctacosane
CID 6428605
2,5,9,13-tetramethyltetradecane
CID 58292409
(3S)-3-methylnonacosan-1-ol
CID 10836783
3,7,11,15,18,22,26-heptamethylhentriacontane-1,30-diol
CID 163028107
3-methyldecane-1,10-diol
CID 22596513
2,6,10,14,19-pentamethyltetracosane
CID 6428632

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyloctan-1-ol;ethanol?
The IUPAC name of 3,7-dimethyloctan-1-ol;ethanol (CID 175190567) is 3,7-dimethyloctan-1-ol;ethanol.
What is the SMILES notation for 3,7-dimethyloctan-1-ol;ethanol?
The canonical SMILES for 3,7-dimethyloctan-1-ol;ethanol is CC(C)CCCC(C)CCO.CCO.
What is the InChIKey of 3,7-dimethyloctan-1-ol;ethanol?
The InChIKey is OZTMBKTVKDTGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O.C2H6O/c1-9(2)5-4-6-10(3)7-8-11;1-2-3/h9-11H,4-8H2,1-3H3;3H,2H2,1H3.
What are the key properties of 3,7-dimethyloctan-1-ol;ethanol?
3,7-dimethyloctan-1-ol;ethanol has a molecular weight of 204.35 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyloctan-1-ol;ethanol is sourced from PubChem (CID 175190567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).