1-cyclopentylbut-3-en-2-ol

C9H16O — CID 19868238

IUPAC1-cyclopentylbut-3-en-2-ol
SMILESC=CC(O)CC1CCCC1
InChIInChI=1S/C9H16O/c1-2-9(10)7-8-5-3-4-6-8/h2,8-10H,1,3-7H2
InChIKeyYOMZUVRDDARRPR-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.11
Rot. Bonds3

About 1-cyclopentylbut-3-en-2-ol

1-cyclopentylbut-3-en-2-ol (PubChem CID 19868238) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-cyclopentylbut-3-en-2-ol.

Molecular Properties

Compound Name1-cyclopentylbut-3-en-2-ol
PubChem CID19868238
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name1-cyclopentylbut-3-en-2-ol
SMILESC=CC(O)CC1CCCC1
InChIInChI=1S/C9H16O/c1-2-9(10)7-8-5-3-4-6-8/h2,8-10H,1,3-7H2
InChIKeyYOMZUVRDDARRPR-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 1-cyclopentylbut-3-en-2-ol?
The IUPAC name of 1-cyclopentylbut-3-en-2-ol (CID 19868238) is 1-cyclopentylbut-3-en-2-ol.
What is the SMILES notation for 1-cyclopentylbut-3-en-2-ol?
The canonical SMILES for 1-cyclopentylbut-3-en-2-ol is C=CC(O)CC1CCCC1.
What is the InChIKey of 1-cyclopentylbut-3-en-2-ol?
The InChIKey is YOMZUVRDDARRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-2-9(10)7-8-5-3-4-6-8/h2,8-10H,1,3-7H2.
What are the key properties of 1-cyclopentylbut-3-en-2-ol?
1-cyclopentylbut-3-en-2-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 1-cyclopentylbut-3-en-2-ol is sourced from PubChem (CID 19868238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).