4-cyclobutylbutan-2-ol

C8H16O — CID 54194692

IUPAC4-cyclobutylbutan-2-ol
SMILESCC(O)CCC1CCC1
InChIInChI=1S/C8H16O/c1-7(9)5-6-8-3-2-4-8/h7-9H,2-6H2,1H3
InChIKeySYMPSRHZLJFQQV-UHFFFAOYSA-N
MW128.21 g/mol
LogP1.95
Rot. Bonds3

About 4-cyclobutylbutan-2-ol

4-cyclobutylbutan-2-ol (PubChem CID 54194692) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 4-cyclobutylbutan-2-ol.

Molecular Properties

Compound Name4-cyclobutylbutan-2-ol
PubChem CID54194692
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name4-cyclobutylbutan-2-ol
SMILESCC(O)CCC1CCC1
InChIInChI=1S/C8H16O/c1-7(9)5-6-8-3-2-4-8/h7-9H,2-6H2,1H3
InChIKeySYMPSRHZLJFQQV-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

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutylbutan-2-ol?
The IUPAC name of 4-cyclobutylbutan-2-ol (CID 54194692) is 4-cyclobutylbutan-2-ol.
What is the SMILES notation for 4-cyclobutylbutan-2-ol?
The canonical SMILES for 4-cyclobutylbutan-2-ol is CC(O)CCC1CCC1.
What is the InChIKey of 4-cyclobutylbutan-2-ol?
The InChIKey is SYMPSRHZLJFQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-7(9)5-6-8-3-2-4-8/h7-9H,2-6H2,1H3.
What are the key properties of 4-cyclobutylbutan-2-ol?
4-cyclobutylbutan-2-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 4-cyclobutylbutan-2-ol is sourced from PubChem (CID 54194692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).