(1S,3R)-2-methylcyclopent-4-ene-1,3-diol

C6H10O2 — CID 11170942

IUPAC(1S,3R)-2-methylcyclopent-4-ene-1,3-diol
SMILESCC1[C@H](O)C=C[C@@H]1O
InChIInChI=1S/C6H10O2/c1-4-5(7)2-3-6(4)8/h2-8H,1H3/t4?,5-,6+
InChIKeyDDHFYZFPMOTEBJ-GOHHTPAQSA-N
MW114.14 g/mol
LogP-0.09
Rot. Bonds

About (1S,3R)-2-methylcyclopent-4-ene-1,3-diol

(1S,3R)-2-methylcyclopent-4-ene-1,3-diol (PubChem CID 11170942) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is (1S,3R)-2-methylcyclopent-4-ene-1,3-diol.

Molecular Properties

Compound Name(1S,3R)-2-methylcyclopent-4-ene-1,3-diol
PubChem CID11170942
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name(1S,3R)-2-methylcyclopent-4-ene-1,3-diol
SMILESCC1[C@H](O)C=C[C@@H]1O
InChIInChI=1S/C6H10O2/c1-4-5(7)2-3-6(4)8/h2-8H,1H3/t4?,5-,6+
InChIKeyDDHFYZFPMOTEBJ-GOHHTPAQSA-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

4-Cyclopentene-1,3-diol
CID 278600
cis-4-Cyclopentene-1,3-Diol
CID 10148988
(1R,5S)-5-(2-hydroxyethyl)cyclopent-2-en-1-ol
CID 10975501
6-Methylhept-2-en-4-ol
CID 6506618
S-Rhynchophorol
CID 11105387
trans-2-Methyl-4-hexen-3-ol
CID 5366236
3,7-Dimethyloct-5-ene-1,7-diol
CID 54416293
6-Methyl-cyclohex-2-en-1-ol
CID 550964
2-Cyclohexen-1-ol, 5-methyl-
CID 359231
5-Methyl-2-hepten-4-ol
CID 54181019
(3S,5E)-3,7-Dimethyl-5-octene-1,7-diol
CID 10035064
2-Methyl-4-hexen-3-ol
CID 145295

Frequently Asked Questions

What is the IUPAC name of (1S,3R)-2-methylcyclopent-4-ene-1,3-diol?
The IUPAC name of (1S,3R)-2-methylcyclopent-4-ene-1,3-diol (CID 11170942) is (1S,3R)-2-methylcyclopent-4-ene-1,3-diol.
What is the SMILES notation for (1S,3R)-2-methylcyclopent-4-ene-1,3-diol?
The canonical SMILES for (1S,3R)-2-methylcyclopent-4-ene-1,3-diol is CC1[C@H](O)C=C[C@@H]1O.
What is the InChIKey of (1S,3R)-2-methylcyclopent-4-ene-1,3-diol?
The InChIKey is DDHFYZFPMOTEBJ-GOHHTPAQSA-N. The full InChI is InChI=1S/C6H10O2/c1-4-5(7)2-3-6(4)8/h2-8H,1H3/t4?,5-,6+.
What are the key properties of (1S,3R)-2-methylcyclopent-4-ene-1,3-diol?
(1S,3R)-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 (1S,3R)-2-methylcyclopent-4-ene-1,3-diol is sourced from PubChem (CID 11170942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).