(1-prop-2-enylcyclobutyl)methanol

C8H14O — CID 54238126

IUPAC(1-prop-2-enylcyclobutyl)methanol
SMILESC=CCC1(CO)CCC1
InChIInChI=1S/C8H14O/c1-2-4-8(7-9)5-3-6-8/h2,9H,1,3-7H2
InChIKeyQOAMPRGRKQXSAC-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.73
Rot. Bonds3

About (1-prop-2-enylcyclobutyl)methanol

(1-prop-2-enylcyclobutyl)methanol (PubChem CID 54238126) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (1-prop-2-enylcyclobutyl)methanol.

Molecular Properties

Compound Name(1-prop-2-enylcyclobutyl)methanol
PubChem CID54238126
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(1-prop-2-enylcyclobutyl)methanol
SMILESC=CCC1(CO)CCC1
InChIInChI=1S/C8H14O/c1-2-4-8(7-9)5-3-6-8/h2,9H,1,3-7H2
InChIKeyQOAMPRGRKQXSAC-UHFFFAOYSA-N
XLogP1.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.73
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-prop-2-enylcyclobutyl)methanol?
The IUPAC name of (1-prop-2-enylcyclobutyl)methanol (CID 54238126) is (1-prop-2-enylcyclobutyl)methanol.
What is the SMILES notation for (1-prop-2-enylcyclobutyl)methanol?
The canonical SMILES for (1-prop-2-enylcyclobutyl)methanol is C=CCC1(CO)CCC1.
What is the InChIKey of (1-prop-2-enylcyclobutyl)methanol?
The InChIKey is QOAMPRGRKQXSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-2-4-8(7-9)5-3-6-8/h2,9H,1,3-7H2.
What are the key properties of (1-prop-2-enylcyclobutyl)methanol?
(1-prop-2-enylcyclobutyl)methanol has a molecular weight of 126.20 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-prop-2-enylcyclobutyl)methanol is sourced from PubChem (CID 54238126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).