(1-but-2-enylcyclobutyl)methanol

C9H16O — CID 54573096

IUPAC(1-but-2-enylcyclobutyl)methanol
SMILESCC=CCC1(CO)CCC1
InChIInChI=1S/C9H16O/c1-2-3-5-9(8-10)6-4-7-9/h2-3,10H,4-8H2,1H3
InChIKeyZYRUMMWOCRFUFR-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.12
Rot. Bonds3

About (1-but-2-enylcyclobutyl)methanol

(1-but-2-enylcyclobutyl)methanol (PubChem CID 54573096) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (1-but-2-enylcyclobutyl)methanol.

Molecular Properties

Compound Name(1-but-2-enylcyclobutyl)methanol
PubChem CID54573096
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(1-but-2-enylcyclobutyl)methanol
SMILESCC=CCC1(CO)CCC1
InChIInChI=1S/C9H16O/c1-2-3-5-9(8-10)6-4-7-9/h2-3,10H,4-8H2,1H3
InChIKeyZYRUMMWOCRFUFR-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
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-but-2-enylcyclobutyl)methanol?
The IUPAC name of (1-but-2-enylcyclobutyl)methanol (CID 54573096) is (1-but-2-enylcyclobutyl)methanol.
What is the SMILES notation for (1-but-2-enylcyclobutyl)methanol?
The canonical SMILES for (1-but-2-enylcyclobutyl)methanol is CC=CCC1(CO)CCC1.
What is the InChIKey of (1-but-2-enylcyclobutyl)methanol?
The InChIKey is ZYRUMMWOCRFUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-2-3-5-9(8-10)6-4-7-9/h2-3,10H,4-8H2,1H3.
What are the key properties of (1-but-2-enylcyclobutyl)methanol?
(1-but-2-enylcyclobutyl)methanol has a molecular weight of 140.23 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-but-2-enylcyclobutyl)methanol is sourced from PubChem (CID 54573096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).