7-(7-bicyclo[4.1.0]heptanylidene)bicyclo[4.1.0]heptane

C14H20 — CID 562714

IUPAC7-(7-bicyclo[4.1.0]heptanylidene)bicyclo[4.1.0]heptane
SMILESC1CCC2C(=C3C4CCCCC34)C2C1
InChIInChI=1S/C14H20/c1-2-6-10-9(5-1)13(10)14-11-7-3-4-8-12(11)14/h9-12H,1-8H2
InChIKeyPGJOOQCXPNHXDI-UHFFFAOYSA-N
MW188.31 g/mol
LogP3.92
Rot. Bonds

About 7-(7-bicyclo[4.1.0]heptanylidene)bicyclo[4.1.0]heptane

7-(7-bicyclo[4.1.0]heptanylidene)bicyclo[4.1.0]heptane (PubChem CID 562714) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is 7-(7-bicyclo[4.1.0]heptanylidene)bicyclo[4.1.0]heptane.

Molecular Properties

Compound Name7-(7-bicyclo[4.1.0]heptanylidene)bicyclo[4.1.0]heptane
PubChem CID562714
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name7-(7-bicyclo[4.1.0]heptanylidene)bicyclo[4.1.0]heptane
SMILESC1CCC2C(=C3C4CCCCC34)C2C1
InChIInChI=1S/C14H20/c1-2-6-10-9(5-1)13(10)14-11-7-3-4-8-12(11)14/h9-12H,1-8H2
InChIKeyPGJOOQCXPNHXDI-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 53.92
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-(7-bicyclo[4.1.0]heptanylidene)bicyclo[4.1.0]heptane?
The IUPAC name of 7-(7-bicyclo[4.1.0]heptanylidene)bicyclo[4.1.0]heptane (CID 562714) is 7-(7-bicyclo[4.1.0]heptanylidene)bicyclo[4.1.0]heptane.
What is the SMILES notation for 7-(7-bicyclo[4.1.0]heptanylidene)bicyclo[4.1.0]heptane?
The canonical SMILES for 7-(7-bicyclo[4.1.0]heptanylidene)bicyclo[4.1.0]heptane is C1CCC2C(=C3C4CCCCC34)C2C1.
What is the InChIKey of 7-(7-bicyclo[4.1.0]heptanylidene)bicyclo[4.1.0]heptane?
The InChIKey is PGJOOQCXPNHXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20/c1-2-6-10-9(5-1)13(10)14-11-7-3-4-8-12(11)14/h9-12H,1-8H2.
What are the key properties of 7-(7-bicyclo[4.1.0]heptanylidene)bicyclo[4.1.0]heptane?
7-(7-bicyclo[4.1.0]heptanylidene)bicyclo[4.1.0]heptane has a molecular weight of 188.31 g/mol, XLogP of 3.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(7-bicyclo[4.1.0]heptanylidene)bicyclo[4.1.0]heptane is sourced from PubChem (CID 562714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).