7-cyclohexylidenebicyclo[4.1.0]heptane

C13H20 — CID 12537062

IUPAC7-cyclohexylidenebicyclo[4.1.0]heptane
SMILESC1CCC(=C2C3CCCCC23)CC1
InChIInChI=1S/C13H20/c1-2-6-10(7-3-1)13-11-8-4-5-9-12(11)13/h11-12H,1-9H2
InChIKeyCXZRKMUFTSXGDR-UHFFFAOYSA-N
MW176.30 g/mol
LogP4.07
Rot. Bonds

About 7-cyclohexylidenebicyclo[4.1.0]heptane

7-cyclohexylidenebicyclo[4.1.0]heptane (PubChem CID 12537062) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 7-cyclohexylidenebicyclo[4.1.0]heptane.

Molecular Properties

Compound Name7-cyclohexylidenebicyclo[4.1.0]heptane
PubChem CID12537062
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name7-cyclohexylidenebicyclo[4.1.0]heptane
SMILESC1CCC(=C2C3CCCCC23)CC1
InChIInChI=1S/C13H20/c1-2-6-10(7-3-1)13-11-8-4-5-9-12(11)13/h11-12H,1-9H2
InChIKeyCXZRKMUFTSXGDR-UHFFFAOYSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-cyclohexylidenebicyclo[4.1.0]heptane?
The IUPAC name of 7-cyclohexylidenebicyclo[4.1.0]heptane (CID 12537062) is 7-cyclohexylidenebicyclo[4.1.0]heptane.
What is the SMILES notation for 7-cyclohexylidenebicyclo[4.1.0]heptane?
The canonical SMILES for 7-cyclohexylidenebicyclo[4.1.0]heptane is C1CCC(=C2C3CCCCC23)CC1.
What is the InChIKey of 7-cyclohexylidenebicyclo[4.1.0]heptane?
The InChIKey is CXZRKMUFTSXGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-2-6-10(7-3-1)13-11-8-4-5-9-12(11)13/h11-12H,1-9H2.
What are the key properties of 7-cyclohexylidenebicyclo[4.1.0]heptane?
7-cyclohexylidenebicyclo[4.1.0]heptane has a molecular weight of 176.30 g/mol, XLogP of 4.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexylidenebicyclo[4.1.0]heptane is sourced from PubChem (CID 12537062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).