(2S,6R,7S)-6-methylnonane-2,7-diol

C10H22O2 — CID 163089982

IUPAC(2S,6R,7S)-6-methylnonane-2,7-diol
SMILESCC[C@H](O)[C@H](C)CCC[C@H](C)O
InChIInChI=1S/C10H22O2/c1-4-10(12)8(2)6-5-7-9(3)11/h8-12H,4-7H2,1-3H3/t8-,9+,10+/m1/s1
InChIKeyXKEDTYIBDHJVML-UTLUCORTSA-N
MW174.28 g/mol
LogP1.94
Rot. Bonds6

About (2S,6R,7S)-6-methylnonane-2,7-diol

(2S,6R,7S)-6-methylnonane-2,7-diol (PubChem CID 163089982) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is (2S,6R,7S)-6-methylnonane-2,7-diol.

Molecular Properties

Compound Name(2S,6R,7S)-6-methylnonane-2,7-diol
PubChem CID163089982
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name(2S,6R,7S)-6-methylnonane-2,7-diol
SMILESCC[C@H](O)[C@H](C)CCC[C@H](C)O
InChIInChI=1S/C10H22O2/c1-4-10(12)8(2)6-5-7-9(3)11/h8-12H,4-7H2,1-3H3/t8-,9+,10+/m1/s1
InChIKeyXKEDTYIBDHJVML-UTLUCORTSA-N
XLogP1.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S,6R,7S)-6-methylnonane-2,7-diol 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-Dimethyl-1-octanol
CID 7792
2-Ethyl-1,3-Hexanediol
CID 7211
2-Butyl-1-octanol
CID 19800
3,7-Dimethyl-1,7-octanediol
CID 249494
2-Octyldodecanol
CID 21414
2-Methyloctanol
CID 102495
1-Cyclohexylethanol
CID 137829
2,6,8-Trimethyl-4-nonanol
CID 61056
4-Isopropylcyclohexanol
CID 20739
2-Propyl-1-heptanol
CID 24847
2-Hexyl-1-decanol
CID 95337
Isotridecan-1-ol
CID 33865

Frequently Asked Questions

What is the IUPAC name of (2S,6R,7S)-6-methylnonane-2,7-diol?
The IUPAC name of (2S,6R,7S)-6-methylnonane-2,7-diol (CID 163089982) is (2S,6R,7S)-6-methylnonane-2,7-diol.
What is the SMILES notation for (2S,6R,7S)-6-methylnonane-2,7-diol?
The canonical SMILES for (2S,6R,7S)-6-methylnonane-2,7-diol is CC[C@H](O)[C@H](C)CCC[C@H](C)O.
What is the InChIKey of (2S,6R,7S)-6-methylnonane-2,7-diol?
The InChIKey is XKEDTYIBDHJVML-UTLUCORTSA-N. The full InChI is InChI=1S/C10H22O2/c1-4-10(12)8(2)6-5-7-9(3)11/h8-12H,4-7H2,1-3H3/t8-,9+,10+/m1/s1.
What are the key properties of (2S,6R,7S)-6-methylnonane-2,7-diol?
(2S,6R,7S)-6-methylnonane-2,7-diol has a molecular weight of 174.28 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R,7S)-6-methylnonane-2,7-diol is sourced from PubChem (CID 163089982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).