(3S)-3,5-dimethylhexan-3-ol

C8H18O — CID 7004848

IUPAC(3S)-3,5-dimethylhexan-3-ol
SMILESCC[C@](C)(O)CC(C)C
InChIInChI=1S/C8H18O/c1-5-8(4,9)6-7(2)3/h7,9H,5-6H2,1-4H3/t8-/m0/s1
InChIKeyINMGJWCKWKKMPN-QMMMGPOBSA-N
MW130.23 g/mol
LogP2.19
Rot. Bonds3

About (3S)-3,5-dimethylhexan-3-ol

(3S)-3,5-dimethylhexan-3-ol (PubChem CID 7004848) has the molecular formula C8H18O and a molecular weight of 130.23 g/mol. Its IUPAC name is (3S)-3,5-dimethylhexan-3-ol.

Molecular Properties

Compound Name(3S)-3,5-dimethylhexan-3-ol
PubChem CID7004848
Molecular FormulaC8H18O
Molecular Weight130.23 g/mol
Exact Mass130.14
IUPAC Name(3S)-3,5-dimethylhexan-3-ol
SMILESCC[C@](C)(O)CC(C)C
InChIInChI=1S/C8H18O/c1-5-8(4,9)6-7(2)3/h7,9H,5-6H2,1-4H3/t8-/m0/s1
InChIKeyINMGJWCKWKKMPN-QMMMGPOBSA-N
XLogP2.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3S)-3,5-dimethylhexan-3-ol 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

2,3,4-Trimethyl-3-pentanol
CID 520484
2-Methylhexan-2-ol
CID 12240
3-Hexanol, 3-methyl-
CID 11708
2,3-Dimethyl-2-hexanol
CID 137270
2,3-Dimethyl-2-pentanol
CID 21019
3-Ethyl-2-methyl-3-pentanol
CID 136390
3,5-Dimethyl-3-hexanol
CID 98266
3,6-Dimethyl-3-heptanol
CID 15297
3-Methyl-3-heptanol
CID 11710
2,4-Dimethyl-2-pentanol
CID 12235
2,5-Dimethylhexan-2-ol
CID 19506
3-Ethylheptan-3-ol
CID 88241

Frequently Asked Questions

What is the IUPAC name of (3S)-3,5-dimethylhexan-3-ol?
The IUPAC name of (3S)-3,5-dimethylhexan-3-ol (CID 7004848) is (3S)-3,5-dimethylhexan-3-ol.
What is the SMILES notation for (3S)-3,5-dimethylhexan-3-ol?
The canonical SMILES for (3S)-3,5-dimethylhexan-3-ol is CC[C@](C)(O)CC(C)C.
What is the InChIKey of (3S)-3,5-dimethylhexan-3-ol?
The InChIKey is INMGJWCKWKKMPN-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H18O/c1-5-8(4,9)6-7(2)3/h7,9H,5-6H2,1-4H3/t8-/m0/s1.
What are the key properties of (3S)-3,5-dimethylhexan-3-ol?
(3S)-3,5-dimethylhexan-3-ol has a molecular weight of 130.23 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3,5-dimethylhexan-3-ol is sourced from PubChem (CID 7004848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).