2-methylcyclopentane-1,1,2-triol

C6H12O3 — CID 139968116

IUPAC2-methylcyclopentane-1,1,2-triol
SMILESCC1(O)CCCC1(O)O
InChIInChI=1S/C6H12O3/c1-5(7)3-2-4-6(5,8)9/h7-9H,2-4H2,1H3
InChIKeyJXXBKNBEOFQZLD-UHFFFAOYSA-N
MW132.16 g/mol
LogP-0.40
Rot. Bonds

About 2-methylcyclopentane-1,1,2-triol

2-methylcyclopentane-1,1,2-triol (PubChem CID 139968116) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is 2-methylcyclopentane-1,1,2-triol.

Molecular Properties

Compound Name2-methylcyclopentane-1,1,2-triol
PubChem CID139968116
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name2-methylcyclopentane-1,1,2-triol
SMILESCC1(O)CCCC1(O)O
InChIInChI=1S/C6H12O3/c1-5(7)3-2-4-6(5,8)9/h7-9H,2-4H2,1H3
InChIKeyJXXBKNBEOFQZLD-UHFFFAOYSA-N
XLogP-0.40
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

cyclohexane-1,1,2,2,3,3-hexol
CID 22138202
trans-(1S,2S)-1-methyl-2-propan-2-ylcyclopentane-1,2-diol
CID 130706001
(5R,10R)-4,4,10-trimethylspiro[4.5]decan-10-ol
CID 102083415
trans-(1R,2R)-1-methyl-2-propan-2-ylcyclopentane-1,2-diol
CID 45096065
2,2-dimethylcyclooctane-1,1-diol
CID 90109064
lithium;hydride;1-methylcyclobutan-1-ol
CID 173114997
2-(aminomethyl)-1,2-dimethylcyclopentan-1-ol
CID 130681780
1,2-dimethyl-2-propylcyclopentan-1-ol
CID 131101146
2-(hydroxymethyl)-1,2-dimethylcyclohexan-1-ol
CID 12590009
1,5-dimethyl-8-prop-2-enylbicyclo[3.2.1]octan-8-ol
CID 70541588
2-(2-hydroxy-1,2-dimethylcyclopentyl)acetic acid
CID 130647860
2,2,3,3-tetrachloro-1-methylcyclobutan-1-ol
CID 19764189

Frequently Asked Questions

What is the IUPAC name of 2-methylcyclopentane-1,1,2-triol?
The IUPAC name of 2-methylcyclopentane-1,1,2-triol (CID 139968116) is 2-methylcyclopentane-1,1,2-triol.
What is the SMILES notation for 2-methylcyclopentane-1,1,2-triol?
The canonical SMILES for 2-methylcyclopentane-1,1,2-triol is CC1(O)CCCC1(O)O.
What is the InChIKey of 2-methylcyclopentane-1,1,2-triol?
The InChIKey is JXXBKNBEOFQZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c1-5(7)3-2-4-6(5,8)9/h7-9H,2-4H2,1H3.
What are the key properties of 2-methylcyclopentane-1,1,2-triol?
2-methylcyclopentane-1,1,2-triol has a molecular weight of 132.16 g/mol, XLogP of -0.40, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylcyclopentane-1,1,2-triol is sourced from PubChem (CID 139968116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).