2-(7,8-dimethyl-6-methylidenenonyl)-5,8-dimethylbicyclo[5.1.0]octane

C22H40 — CID 123672686

IUPAC2-(7,8-dimethyl-6-methylidenenonyl)-5,8-dimethylbicyclo[5.1.0]octane
SMILESC=C(CCCCCC1CCC(C)CC2C(C)C12)C(C)C(C)C
InChIInChI=1S/C22H40/c1-15(2)18(5)17(4)10-8-7-9-11-20-13-12-16(3)14-21-19(6)22(20)21/h15-16,18-22H,4,7-14H2,1-3,5-6H3
InChIKeyRMJBPJXUQXQZRC-UHFFFAOYSA-N
MW304.56 g/mol
LogP7.10
Rot. Bonds8

About 2-(7,8-dimethyl-6-methylidenenonyl)-5,8-dimethylbicyclo[5.1.0]octane

2-(7,8-dimethyl-6-methylidenenonyl)-5,8-dimethylbicyclo[5.1.0]octane (PubChem CID 123672686) has the molecular formula C22H40 and a molecular weight of 304.56 g/mol. Its IUPAC name is 2-(7,8-dimethyl-6-methylidenenonyl)-5,8-dimethylbicyclo[5.1.0]octane.

Molecular Properties

Compound Name2-(7,8-dimethyl-6-methylidenenonyl)-5,8-dimethylbicyclo[5.1.0]octane
PubChem CID123672686
Molecular FormulaC22H40
Molecular Weight304.56 g/mol
Exact Mass304.31
IUPAC Name2-(7,8-dimethyl-6-methylidenenonyl)-5,8-dimethylbicyclo[5.1.0]octane
SMILESC=C(CCCCCC1CCC(C)CC2C(C)C12)C(C)C(C)C
InChIInChI=1S/C22H40/c1-15(2)18(5)17(4)10-8-7-9-11-20-13-12-16(3)14-21-19(6)22(20)21/h15-16,18-22H,4,7-14H2,1-3,5-6H3
InChIKeyRMJBPJXUQXQZRC-UHFFFAOYSA-N
XLogP7.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.56
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(7,8-dimethyl-6-methylidenenonyl)-5,8-dimethylbicyclo[5.1.0]octane?
The IUPAC name of 2-(7,8-dimethyl-6-methylidenenonyl)-5,8-dimethylbicyclo[5.1.0]octane (CID 123672686) is 2-(7,8-dimethyl-6-methylidenenonyl)-5,8-dimethylbicyclo[5.1.0]octane.
What is the SMILES notation for 2-(7,8-dimethyl-6-methylidenenonyl)-5,8-dimethylbicyclo[5.1.0]octane?
The canonical SMILES for 2-(7,8-dimethyl-6-methylidenenonyl)-5,8-dimethylbicyclo[5.1.0]octane is C=C(CCCCCC1CCC(C)CC2C(C)C12)C(C)C(C)C.
What is the InChIKey of 2-(7,8-dimethyl-6-methylidenenonyl)-5,8-dimethylbicyclo[5.1.0]octane?
The InChIKey is RMJBPJXUQXQZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40/c1-15(2)18(5)17(4)10-8-7-9-11-20-13-12-16(3)14-21-19(6)22(20)21/h15-16,18-22H,4,7-14H2,1-3,5-6H3.
What are the key properties of 2-(7,8-dimethyl-6-methylidenenonyl)-5,8-dimethylbicyclo[5.1.0]octane?
2-(7,8-dimethyl-6-methylidenenonyl)-5,8-dimethylbicyclo[5.1.0]octane has a molecular weight of 304.56 g/mol, XLogP of 7.10, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,8-dimethyl-6-methylidenenonyl)-5,8-dimethylbicyclo[5.1.0]octane is sourced from PubChem (CID 123672686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).