(1S,2R,3S)-3-methylcyclopentane-1,2-diol

C6H12O2 — CID 11863599

IUPAC(1S,2R,3S)-3-methylcyclopentane-1,2-diol
SMILESC[C@H]1CC[C@H](O)[C@@H]1O
InChIInChI=1S/C6H12O2/c1-4-2-3-5(7)6(4)8/h4-8H,2-3H2,1H3/t4-,5-,6+/m0/s1
InChIKeyKANFKJUPLALTDB-HCWXCVPCSA-N
MW116.16 g/mol
LogP0.14
Rot. Bonds

About (1S,2R,3S)-3-methylcyclopentane-1,2-diol

(1S,2R,3S)-3-methylcyclopentane-1,2-diol (PubChem CID 11863599) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is (1S,2R,3S)-3-methylcyclopentane-1,2-diol.

Molecular Properties

Compound Name(1S,2R,3S)-3-methylcyclopentane-1,2-diol
PubChem CID11863599
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name(1S,2R,3S)-3-methylcyclopentane-1,2-diol
SMILESC[C@H]1CC[C@H](O)[C@@H]1O
InChIInChI=1S/C6H12O2/c1-4-2-3-5(7)6(4)8/h4-8H,2-3H2,1H3/t4-,5-,6+/m0/s1
InChIKeyKANFKJUPLALTDB-HCWXCVPCSA-N
XLogP0.14
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2S)-3-methylcyclopentane-1,2-diol
CID 66664692
2,3,5-trimethylcycloheptane-1,4-diol
CID 123379780
cyclohexane-1,2,3,4-tetrol;methanol
CID 70613200
(1R,2S,3R,4R)-cyclohexane-1,2,3,4-tetrol
CID 10176209
2-tert-butyl-3,4-dimethylcyclohexan-1-ol
CID 58534490
2-[(2-hydroxy-3,6-dimethylcyclohexyl)methyl]-3,6-dimethylcyclohexan-1-ol
CID 140524939
2,3-difluoro-4-methylcyclohexan-1-ol
CID 89103699
trans-(1S,2S)-2-methylcyclopropan-1-ol
CID 13410812
(1S,2S,3R,6R)-3-methylbicyclo[4.1.0]heptan-2-ol
CID 131124362
cis-(1S,2S)-2-(hydroxymethyl)-3-methylcyclopentan-1-ol
CID 162070129
(3S,4R,5S)-5-methylpiperidine-3,4-diol;hydrochloride
CID 146675644
6-butyl-3-methylcycloheptane-1,2-diol
CID 123314380

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S)-3-methylcyclopentane-1,2-diol?
The IUPAC name of (1S,2R,3S)-3-methylcyclopentane-1,2-diol (CID 11863599) is (1S,2R,3S)-3-methylcyclopentane-1,2-diol.
What is the SMILES notation for (1S,2R,3S)-3-methylcyclopentane-1,2-diol?
The canonical SMILES for (1S,2R,3S)-3-methylcyclopentane-1,2-diol is C[C@H]1CC[C@H](O)[C@@H]1O.
What is the InChIKey of (1S,2R,3S)-3-methylcyclopentane-1,2-diol?
The InChIKey is KANFKJUPLALTDB-HCWXCVPCSA-N. The full InChI is InChI=1S/C6H12O2/c1-4-2-3-5(7)6(4)8/h4-8H,2-3H2,1H3/t4-,5-,6+/m0/s1.
What are the key properties of (1S,2R,3S)-3-methylcyclopentane-1,2-diol?
(1S,2R,3S)-3-methylcyclopentane-1,2-diol has a molecular weight of 116.16 g/mol, XLogP of 0.14, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S)-3-methylcyclopentane-1,2-diol is sourced from PubChem (CID 11863599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).