3-cyclobutylbut-3-en-1-ol

C8H14O — CID 117269172

IUPAC3-cyclobutylbut-3-en-1-ol
SMILESC=C(CCO)C1CCC1
InChIInChI=1S/C8H14O/c1-7(5-6-9)8-3-2-4-8/h8-9H,1-6H2
InChIKeyRPSNNCOYUKFKIX-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.73
Rot. Bonds3

About 3-cyclobutylbut-3-en-1-ol

3-cyclobutylbut-3-en-1-ol (PubChem CID 117269172) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 3-cyclobutylbut-3-en-1-ol.

Molecular Properties

Compound Name3-cyclobutylbut-3-en-1-ol
PubChem CID117269172
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name3-cyclobutylbut-3-en-1-ol
SMILESC=C(CCO)C1CCC1
InChIInChI=1S/C8H14O/c1-7(5-6-9)8-3-2-4-8/h8-9H,1-6H2
InChIKeyRPSNNCOYUKFKIX-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 3-cyclobutylbut-3-en-1-ol?
The IUPAC name of 3-cyclobutylbut-3-en-1-ol (CID 117269172) is 3-cyclobutylbut-3-en-1-ol.
What is the SMILES notation for 3-cyclobutylbut-3-en-1-ol?
The canonical SMILES for 3-cyclobutylbut-3-en-1-ol is C=C(CCO)C1CCC1.
What is the InChIKey of 3-cyclobutylbut-3-en-1-ol?
The InChIKey is RPSNNCOYUKFKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-7(5-6-9)8-3-2-4-8/h8-9H,1-6H2.
What are the key properties of 3-cyclobutylbut-3-en-1-ol?
3-cyclobutylbut-3-en-1-ol 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 3-cyclobutylbut-3-en-1-ol is sourced from PubChem (CID 117269172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).