3-butylcyclobutan-1-ol

C8H16O — CID 14944651

IUPAC3-butylcyclobutan-1-ol
SMILESCCCCC1CC(O)C1
InChIInChI=1S/C8H16O/c1-2-3-4-7-5-8(9)6-7/h7-9H,2-6H2,1H3
InChIKeyVMTPHYCPCPPKLS-UHFFFAOYSA-N
MW128.21 g/mol
LogP1.95
Rot. Bonds3

About 3-butylcyclobutan-1-ol

3-butylcyclobutan-1-ol (PubChem CID 14944651) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 3-butylcyclobutan-1-ol.

Molecular Properties

Compound Name3-butylcyclobutan-1-ol
PubChem CID14944651
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name3-butylcyclobutan-1-ol
SMILESCCCCC1CC(O)C1
InChIInChI=1S/C8H16O/c1-2-3-4-7-5-8(9)6-7/h7-9H,2-6H2,1H3
InChIKeyVMTPHYCPCPPKLS-UHFFFAOYSA-N
XLogP1.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-butylcyclobutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-butylcyclobutan-1-ol?
The IUPAC name of 3-butylcyclobutan-1-ol (CID 14944651) is 3-butylcyclobutan-1-ol.
What is the SMILES notation for 3-butylcyclobutan-1-ol?
The canonical SMILES for 3-butylcyclobutan-1-ol is CCCCC1CC(O)C1.
What is the InChIKey of 3-butylcyclobutan-1-ol?
The InChIKey is VMTPHYCPCPPKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-2-3-4-7-5-8(9)6-7/h7-9H,2-6H2,1H3.
What are the key properties of 3-butylcyclobutan-1-ol?
3-butylcyclobutan-1-ol has a molecular weight of 128.21 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylcyclobutan-1-ol is sourced from PubChem (CID 14944651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).