[(1S)-cyclopent-2-en-1-yl]methanediol

C6H10O2 — CID 134407008

IUPAC[(1S)-cyclopent-2-en-1-yl]methanediol
SMILESOC(O)[C@@H]1C=CCC1
InChIInChI=1S/C6H10O2/c7-6(8)5-3-1-2-4-5/h1,3,5-8H,2,4H2/t5-/m1/s1
InChIKeyUJTQQSIQPFKDCS-RXMQYKEDSA-N
MW114.14 g/mol
LogP0.26
Rot. Bonds1

About [(1S)-cyclopent-2-en-1-yl]methanediol

[(1S)-cyclopent-2-en-1-yl]methanediol (PubChem CID 134407008) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is [(1S)-cyclopent-2-en-1-yl]methanediol.

Molecular Properties

Compound Name[(1S)-cyclopent-2-en-1-yl]methanediol
PubChem CID134407008
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name[(1S)-cyclopent-2-en-1-yl]methanediol
SMILESOC(O)[C@@H]1C=CCC1
InChIInChI=1S/C6H10O2/c7-6(8)5-3-1-2-4-5/h1,3,5-8H,2,4H2/t5-/m1/s1
InChIKeyUJTQQSIQPFKDCS-RXMQYKEDSA-N
XLogP0.26
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1S)-cyclopent-2-en-1-yl]methanediol?
The IUPAC name of [(1S)-cyclopent-2-en-1-yl]methanediol (CID 134407008) is [(1S)-cyclopent-2-en-1-yl]methanediol.
What is the SMILES notation for [(1S)-cyclopent-2-en-1-yl]methanediol?
The canonical SMILES for [(1S)-cyclopent-2-en-1-yl]methanediol is OC(O)[C@@H]1C=CCC1.
What is the InChIKey of [(1S)-cyclopent-2-en-1-yl]methanediol?
The InChIKey is UJTQQSIQPFKDCS-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H10O2/c7-6(8)5-3-1-2-4-5/h1,3,5-8H,2,4H2/t5-/m1/s1.
What are the key properties of [(1S)-cyclopent-2-en-1-yl]methanediol?
[(1S)-cyclopent-2-en-1-yl]methanediol has a molecular weight of 114.14 g/mol, XLogP of 0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-cyclopent-2-en-1-yl]methanediol is sourced from PubChem (CID 134407008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).