2-cyclopent-2-en-1-ylethanol

C7H12O — CID 10964444

IUPAC2-cyclopent-2-en-1-ylethanol
SMILESOCCC1C=CCC1
InChIInChI=1S/C7H12O/c8-6-5-7-3-1-2-4-7/h1,3,7-8H,2,4-6H2
InChIKeyDNITZIKVBPIDEY-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.34
Rot. Bonds2

About 2-cyclopent-2-en-1-ylethanol

2-cyclopent-2-en-1-ylethanol (PubChem CID 10964444) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-ylethanol.

Molecular Properties

Compound Name2-cyclopent-2-en-1-ylethanol
PubChem CID10964444
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name2-cyclopent-2-en-1-ylethanol
SMILESOCCC1C=CCC1
InChIInChI=1S/C7H12O/c8-6-5-7-3-1-2-4-7/h1,3,7-8H,2,4-6H2
InChIKeyDNITZIKVBPIDEY-UHFFFAOYSA-N
XLogP1.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-ylethanol?
The IUPAC name of 2-cyclopent-2-en-1-ylethanol (CID 10964444) is 2-cyclopent-2-en-1-ylethanol.
What is the SMILES notation for 2-cyclopent-2-en-1-ylethanol?
The canonical SMILES for 2-cyclopent-2-en-1-ylethanol is OCCC1C=CCC1.
What is the InChIKey of 2-cyclopent-2-en-1-ylethanol?
The InChIKey is DNITZIKVBPIDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c8-6-5-7-3-1-2-4-7/h1,3,7-8H,2,4-6H2.
What are the key properties of 2-cyclopent-2-en-1-ylethanol?
2-cyclopent-2-en-1-ylethanol has a molecular weight of 112.17 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-ylethanol is sourced from PubChem (CID 10964444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).