(1-butylcyclopent-3-en-1-yl)methanol

C10H18O — CID 57103292

IUPAC(1-butylcyclopent-3-en-1-yl)methanol
SMILESCCCCC1(CO)CC=CC1
InChIInChI=1S/C10H18O/c1-2-3-6-10(9-11)7-4-5-8-10/h4-5,11H,2-3,6-9H2,1H3
InChIKeyADDYIUVUWKACAV-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.51
Rot. Bonds4

About (1-butylcyclopent-3-en-1-yl)methanol

(1-butylcyclopent-3-en-1-yl)methanol (PubChem CID 57103292) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (1-butylcyclopent-3-en-1-yl)methanol.

Molecular Properties

Compound Name(1-butylcyclopent-3-en-1-yl)methanol
PubChem CID57103292
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(1-butylcyclopent-3-en-1-yl)methanol
SMILESCCCCC1(CO)CC=CC1
InChIInChI=1S/C10H18O/c1-2-3-6-10(9-11)7-4-5-8-10/h4-5,11H,2-3,6-9H2,1H3
InChIKeyADDYIUVUWKACAV-UHFFFAOYSA-N
XLogP2.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.51
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-yl)methanol?
The IUPAC name of (1-butylcyclopent-3-en-1-yl)methanol (CID 57103292) is (1-butylcyclopent-3-en-1-yl)methanol.
What is the SMILES notation for (1-butylcyclopent-3-en-1-yl)methanol?
The canonical SMILES for (1-butylcyclopent-3-en-1-yl)methanol is CCCCC1(CO)CC=CC1.
What is the InChIKey of (1-butylcyclopent-3-en-1-yl)methanol?
The InChIKey is ADDYIUVUWKACAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-2-3-6-10(9-11)7-4-5-8-10/h4-5,11H,2-3,6-9H2,1H3.
What are the key properties of (1-butylcyclopent-3-en-1-yl)methanol?
(1-butylcyclopent-3-en-1-yl)methanol has a molecular weight of 154.25 g/mol, XLogP of 2.51, 4 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-yl)methanol is sourced from PubChem (CID 57103292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).