1-butylcyclopent-3-en-1-ol

C9H16O — CID 11768661

IUPAC1-butylcyclopent-3-en-1-ol
SMILESCCCCC1(O)CC=CC1
InChIInChI=1S/C9H16O/c1-2-3-6-9(10)7-4-5-8-9/h4-5,10H,2-3,6-8H2,1H3
InChIKeyKPZPPSJWURELDH-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.26
Rot. Bonds3

About 1-butylcyclopent-3-en-1-ol

1-butylcyclopent-3-en-1-ol (PubChem CID 11768661) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-butylcyclopent-3-en-1-ol.

Molecular Properties

Compound Name1-butylcyclopent-3-en-1-ol
PubChem CID11768661
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name1-butylcyclopent-3-en-1-ol
SMILESCCCCC1(O)CC=CC1
InChIInChI=1S/C9H16O/c1-2-3-6-9(10)7-4-5-8-9/h4-5,10H,2-3,6-8H2,1H3
InChIKeyKPZPPSJWURELDH-UHFFFAOYSA-N
XLogP2.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.26
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 1-butylcyclopent-3-en-1-ol?
The IUPAC name of 1-butylcyclopent-3-en-1-ol (CID 11768661) is 1-butylcyclopent-3-en-1-ol.
What is the SMILES notation for 1-butylcyclopent-3-en-1-ol?
The canonical SMILES for 1-butylcyclopent-3-en-1-ol is CCCCC1(O)CC=CC1.
What is the InChIKey of 1-butylcyclopent-3-en-1-ol?
The InChIKey is KPZPPSJWURELDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-2-3-6-9(10)7-4-5-8-9/h4-5,10H,2-3,6-8H2,1H3.
What are the key properties of 1-butylcyclopent-3-en-1-ol?
1-butylcyclopent-3-en-1-ol has a molecular weight of 140.23 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylcyclopent-3-en-1-ol is sourced from PubChem (CID 11768661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).