(4S,6S)-4,6-dimethyloctan-1-ol

C10H22O — CID 92950690

IUPAC(4S,6S)-4,6-dimethyloctan-1-ol
SMILESCC[C@H](C)C[C@@H](C)CCCO
InChIInChI=1S/C10H22O/c1-4-9(2)8-10(3)6-5-7-11/h9-11H,4-8H2,1-3H3/t9-,10-/m0/s1
InChIKeyJOWDWXPTKVUHBV-UWVGGRQHSA-N
MW158.28 g/mol
LogP2.83
Rot. Bonds6

About (4S,6S)-4,6-dimethyloctan-1-ol

(4S,6S)-4,6-dimethyloctan-1-ol (PubChem CID 92950690) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is (4S,6S)-4,6-dimethyloctan-1-ol.

Molecular Properties

Compound Name(4S,6S)-4,6-dimethyloctan-1-ol
PubChem CID92950690
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name(4S,6S)-4,6-dimethyloctan-1-ol
SMILESCC[C@H](C)C[C@@H](C)CCCO
InChIInChI=1S/C10H22O/c1-4-9(2)8-10(3)6-5-7-11/h9-11H,4-8H2,1-3H3/t9-,10-/m0/s1
InChIKeyJOWDWXPTKVUHBV-UWVGGRQHSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4S,6S)-4,6-dimethyloctan-1-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

(3S,5R)-3,5-dimethylheptan-1-ol
CID 99134990
(6R)-6-chloro-4-methyloctan-1-ol
CID 88596196
4,6,8,10-tetramethyltridecan-1-ol
CID 172545129
(4R,8S)-4,8-dimethyldecan-1-ol
CID 121007505
2,4-dimethylheptane-1,7-diol
CID 175358767
4,7-dimethylnonan-1-ol
CID 87272409
(4S,6S)-4,6,9-trimethyloctadecane-1,18-diol
CID 58388501
(11S)-11-methyltridecan-1-ol
CID 71389600
(7S)-7-methylnonan-1-ol
CID 11105641
(10S)-10-methyldodecan-1-ol
CID 11715372
14-methylhexadecan-1-ol
CID 5283264
(7R,9S)-7,9-dimethylhexadecan-1-ol
CID 11196523

Frequently Asked Questions

What is the IUPAC name of (4S,6S)-4,6-dimethyloctan-1-ol?
The IUPAC name of (4S,6S)-4,6-dimethyloctan-1-ol (CID 92950690) is (4S,6S)-4,6-dimethyloctan-1-ol.
What is the SMILES notation for (4S,6S)-4,6-dimethyloctan-1-ol?
The canonical SMILES for (4S,6S)-4,6-dimethyloctan-1-ol is CC[C@H](C)C[C@@H](C)CCCO.
What is the InChIKey of (4S,6S)-4,6-dimethyloctan-1-ol?
The InChIKey is JOWDWXPTKVUHBV-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H22O/c1-4-9(2)8-10(3)6-5-7-11/h9-11H,4-8H2,1-3H3/t9-,10-/m0/s1.
What are the key properties of (4S,6S)-4,6-dimethyloctan-1-ol?
(4S,6S)-4,6-dimethyloctan-1-ol has a molecular weight of 158.28 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S)-4,6-dimethyloctan-1-ol is sourced from PubChem (CID 92950690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).