4-(4-tert-butylcyclohexen-1-yl)butan-2-one

C14H24O — CID 11275803

IUPAC4-(4-tert-butylcyclohexen-1-yl)butan-2-one
SMILESCC(=O)CCC1=CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H24O/c1-11(15)5-6-12-7-9-13(10-8-12)14(2,3)4/h7,13H,5-6,8-10H2,1-4H3
InChIKeyDETSFOOOCFLZDN-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.13
Rot. Bonds3

About 4-(4-tert-butylcyclohexen-1-yl)butan-2-one

4-(4-tert-butylcyclohexen-1-yl)butan-2-one (PubChem CID 11275803) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 4-(4-tert-butylcyclohexen-1-yl)butan-2-one.

Molecular Properties

Compound Name4-(4-tert-butylcyclohexen-1-yl)butan-2-one
PubChem CID11275803
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name4-(4-tert-butylcyclohexen-1-yl)butan-2-one
SMILESCC(=O)CCC1=CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H24O/c1-11(15)5-6-12-7-9-13(10-8-12)14(2,3)4/h7,13H,5-6,8-10H2,1-4H3
InChIKeyDETSFOOOCFLZDN-UHFFFAOYSA-N
XLogP4.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-(4-tert-butylcyclohexen-1-yl)butan-2-one 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 4-(4-tert-butylcyclohexen-1-yl)butan-2-one?
The IUPAC name of 4-(4-tert-butylcyclohexen-1-yl)butan-2-one (CID 11275803) is 4-(4-tert-butylcyclohexen-1-yl)butan-2-one.
What is the SMILES notation for 4-(4-tert-butylcyclohexen-1-yl)butan-2-one?
The canonical SMILES for 4-(4-tert-butylcyclohexen-1-yl)butan-2-one is CC(=O)CCC1=CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-(4-tert-butylcyclohexen-1-yl)butan-2-one?
The InChIKey is DETSFOOOCFLZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-11(15)5-6-12-7-9-13(10-8-12)14(2,3)4/h7,13H,5-6,8-10H2,1-4H3.
What are the key properties of 4-(4-tert-butylcyclohexen-1-yl)butan-2-one?
4-(4-tert-butylcyclohexen-1-yl)butan-2-one has a molecular weight of 208.34 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylcyclohexen-1-yl)butan-2-one is sourced from PubChem (CID 11275803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).