1,3-dimethylidene-5-prop-2-enylcyclohexane;ethane

C13H22 — CID 176715191

IUPAC1,3-dimethylidene-5-prop-2-enylcyclohexane;ethane
SMILESC=CCC1CC(=C)CC(=C)C1.CC
InChIInChI=1S/C11H16.C2H6/c1-4-5-11-7-9(2)6-10(3)8-11;1-2/h4,11H,1-3,5-8H2;1-2H3
InChIKeyXPIPMWMZZLTFQV-UHFFFAOYSA-N
MW178.32 g/mol
LogP4.50
Rot. Bonds2

About 1,3-dimethylidene-5-prop-2-enylcyclohexane;ethane

1,3-dimethylidene-5-prop-2-enylcyclohexane;ethane (PubChem CID 176715191) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 1,3-dimethylidene-5-prop-2-enylcyclohexane;ethane.

Molecular Properties

Compound Name1,3-dimethylidene-5-prop-2-enylcyclohexane;ethane
PubChem CID176715191
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name1,3-dimethylidene-5-prop-2-enylcyclohexane;ethane
SMILESC=CCC1CC(=C)CC(=C)C1.CC
InChIInChI=1S/C11H16.C2H6/c1-4-5-11-7-9(2)6-10(3)8-11;1-2/h4,11H,1-3,5-8H2;1-2H3
InChIKeyXPIPMWMZZLTFQV-UHFFFAOYSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,3-dimethylidene-5-prop-2-enylcyclohexane;ethane 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 1,3-dimethylidene-5-prop-2-enylcyclohexane;ethane?
The IUPAC name of 1,3-dimethylidene-5-prop-2-enylcyclohexane;ethane (CID 176715191) is 1,3-dimethylidene-5-prop-2-enylcyclohexane;ethane.
What is the SMILES notation for 1,3-dimethylidene-5-prop-2-enylcyclohexane;ethane?
The canonical SMILES for 1,3-dimethylidene-5-prop-2-enylcyclohexane;ethane is C=CCC1CC(=C)CC(=C)C1.CC.
What is the InChIKey of 1,3-dimethylidene-5-prop-2-enylcyclohexane;ethane?
The InChIKey is XPIPMWMZZLTFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16.C2H6/c1-4-5-11-7-9(2)6-10(3)8-11;1-2/h4,11H,1-3,5-8H2;1-2H3.
What are the key properties of 1,3-dimethylidene-5-prop-2-enylcyclohexane;ethane?
1,3-dimethylidene-5-prop-2-enylcyclohexane;ethane has a molecular weight of 178.32 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylidene-5-prop-2-enylcyclohexane;ethane is sourced from PubChem (CID 176715191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).