1-propan-2-ylcyclohexene

C9H16 — CID 521124

IUPAC1-propan-2-ylcyclohexene
SMILESCC(C)C1=CCCCC1
InChIInChI=1S/C9H16/c1-8(2)9-6-4-3-5-7-9/h6,8H,3-5,7H2,1-2H3
InChIKeyZYMCVIZKLGUPBG-UHFFFAOYSA-N
MW124.23 g/mol
LogP3.14
Rot. Bonds1

About 1-propan-2-ylcyclohexene

1-propan-2-ylcyclohexene (PubChem CID 521124) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is 1-propan-2-ylcyclohexene.

Molecular Properties

Compound Name1-propan-2-ylcyclohexene
PubChem CID521124
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name1-propan-2-ylcyclohexene
SMILESCC(C)C1=CCCCC1
InChIInChI=1S/C9H16/c1-8(2)9-6-4-3-5-7-9/h6,8H,3-5,7H2,1-2H3
InChIKeyZYMCVIZKLGUPBG-UHFFFAOYSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-propan-2-ylcyclohexene 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 1-propan-2-ylcyclohexene?
The IUPAC name of 1-propan-2-ylcyclohexene (CID 521124) is 1-propan-2-ylcyclohexene.
What is the SMILES notation for 1-propan-2-ylcyclohexene?
The canonical SMILES for 1-propan-2-ylcyclohexene is CC(C)C1=CCCCC1.
What is the InChIKey of 1-propan-2-ylcyclohexene?
The InChIKey is ZYMCVIZKLGUPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-8(2)9-6-4-3-5-7-9/h6,8H,3-5,7H2,1-2H3.
What are the key properties of 1-propan-2-ylcyclohexene?
1-propan-2-ylcyclohexene has a molecular weight of 124.23 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylcyclohexene is sourced from PubChem (CID 521124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).