1-methylidene-4-propan-2-ylcyclohexane

C10H18 — CID 517973

IUPAC1-methylidene-4-propan-2-ylcyclohexane
SMILESC=C1CCC(C(C)C)CC1
InChIInChI=1S/C10H18/c1-8(2)10-6-4-9(3)5-7-10/h8,10H,3-7H2,1-2H3
InChIKeyCEWQMRMCIKPUIK-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.39
Rot. Bonds1

About 1-methylidene-4-propan-2-ylcyclohexane

1-methylidene-4-propan-2-ylcyclohexane (PubChem CID 517973) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 1-methylidene-4-propan-2-ylcyclohexane.

Molecular Properties

Compound Name1-methylidene-4-propan-2-ylcyclohexane
PubChem CID517973
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name1-methylidene-4-propan-2-ylcyclohexane
SMILESC=C1CCC(C(C)C)CC1
InChIInChI=1S/C10H18/c1-8(2)10-6-4-9(3)5-7-10/h8,10H,3-7H2,1-2H3
InChIKeyCEWQMRMCIKPUIK-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-methylidene-4-propan-2-ylcyclohexane 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-methylidene-4-propan-2-ylcyclohexane?
The IUPAC name of 1-methylidene-4-propan-2-ylcyclohexane (CID 517973) is 1-methylidene-4-propan-2-ylcyclohexane.
What is the SMILES notation for 1-methylidene-4-propan-2-ylcyclohexane?
The canonical SMILES for 1-methylidene-4-propan-2-ylcyclohexane is C=C1CCC(C(C)C)CC1.
What is the InChIKey of 1-methylidene-4-propan-2-ylcyclohexane?
The InChIKey is CEWQMRMCIKPUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-8(2)10-6-4-9(3)5-7-10/h8,10H,3-7H2,1-2H3.
What are the key properties of 1-methylidene-4-propan-2-ylcyclohexane?
1-methylidene-4-propan-2-ylcyclohexane has a molecular weight of 138.25 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylidene-4-propan-2-ylcyclohexane is sourced from PubChem (CID 517973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).