2-but-3-enylcyclopentan-1-ol

C9H16O — CID 12702725

IUPAC2-but-3-enylcyclopentan-1-ol
SMILESC=CCCC1CCCC1O
InChIInChI=1S/C9H16O/c1-2-3-5-8-6-4-7-9(8)10/h2,8-10H,1,3-7H2
InChIKeyJGWISPYQYHUNPS-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.11
Rot. Bonds3

About 2-but-3-enylcyclopentan-1-ol

2-but-3-enylcyclopentan-1-ol (PubChem CID 12702725) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-but-3-enylcyclopentan-1-ol.

Molecular Properties

Compound Name2-but-3-enylcyclopentan-1-ol
PubChem CID12702725
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name2-but-3-enylcyclopentan-1-ol
SMILESC=CCCC1CCCC1O
InChIInChI=1S/C9H16O/c1-2-3-5-8-6-4-7-9(8)10/h2,8-10H,1,3-7H2
InChIKeyJGWISPYQYHUNPS-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
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-but-3-enylcyclopentan-1-ol?
The IUPAC name of 2-but-3-enylcyclopentan-1-ol (CID 12702725) is 2-but-3-enylcyclopentan-1-ol.
What is the SMILES notation for 2-but-3-enylcyclopentan-1-ol?
The canonical SMILES for 2-but-3-enylcyclopentan-1-ol is C=CCCC1CCCC1O.
What is the InChIKey of 2-but-3-enylcyclopentan-1-ol?
The InChIKey is JGWISPYQYHUNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-2-3-5-8-6-4-7-9(8)10/h2,8-10H,1,3-7H2.
What are the key properties of 2-but-3-enylcyclopentan-1-ol?
2-but-3-enylcyclopentan-1-ol has a molecular weight of 140.23 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enylcyclopentan-1-ol is sourced from PubChem (CID 12702725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).