2-methylcyclopent-4-ene-1,3-diol

C6H10O2 — CID 85423697

IUPAC2-methylcyclopent-4-ene-1,3-diol
SMILESCC1C(O)C=CC1O
InChIInChI=1S/C6H10O2/c1-4-5(7)2-3-6(4)8/h2-8H,1H3
InChIKeyDDHFYZFPMOTEBJ-UHFFFAOYSA-N
MW114.14 g/mol
LogP-0.09
Rot. Bonds

About 2-methylcyclopent-4-ene-1,3-diol

2-methylcyclopent-4-ene-1,3-diol (PubChem CID 85423697) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 2-methylcyclopent-4-ene-1,3-diol.

Molecular Properties

Compound Name2-methylcyclopent-4-ene-1,3-diol
PubChem CID85423697
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name2-methylcyclopent-4-ene-1,3-diol
SMILESCC1C(O)C=CC1O
InChIInChI=1S/C6H10O2/c1-4-5(7)2-3-6(4)8/h2-8H,1H3
InChIKeyDDHFYZFPMOTEBJ-UHFFFAOYSA-N
XLogP-0.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5,6-dimethylcyclohex-2-ene-1,4-diol
CID 58010997
cyclobut-3-ene-1,2-diol
CID 12513563
5,6-dimethyl-4-nitrosocyclohex-2-en-1-ol
CID 129151603
(1S,2R,3R,4R)-cyclohex-5-ene-1,2,3,4-tetrol
CID 10057625
(2R)-2,3-dimethylcyclopropan-1-ol
CID 173306707
2,3,5-trimethylcycloheptane-1,4-diol
CID 123379780
3,6-dimethylcyclohex-4-ene-1,2-diol
CID 57145971
(1R,2R,5S)-6,6-difluoro-5-methylcyclohex-3-ene-1,2-diol
CID 102170362
(2R,3S,4R)-3-methyl-2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran-4-ol
CID 131241498
[4-hydroxy-5-methyl-6-(3-methylbut-2-enyl)cyclohex-2-en-1-yl] acetate
CID 121399560
(4R)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-ol
CID 130349286
5-methylcyclopent-2-en-1-ol
CID 23103323

Frequently Asked Questions

What is the IUPAC name of 2-methylcyclopent-4-ene-1,3-diol?
The IUPAC name of 2-methylcyclopent-4-ene-1,3-diol (CID 85423697) is 2-methylcyclopent-4-ene-1,3-diol.
What is the SMILES notation for 2-methylcyclopent-4-ene-1,3-diol?
The canonical SMILES for 2-methylcyclopent-4-ene-1,3-diol is CC1C(O)C=CC1O.
What is the InChIKey of 2-methylcyclopent-4-ene-1,3-diol?
The InChIKey is DDHFYZFPMOTEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-4-5(7)2-3-6(4)8/h2-8H,1H3.
What are the key properties of 2-methylcyclopent-4-ene-1,3-diol?
2-methylcyclopent-4-ene-1,3-diol has a molecular weight of 114.14 g/mol, XLogP of -0.09, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylcyclopent-4-ene-1,3-diol is sourced from PubChem (CID 85423697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).