4,8,8-trimethyl-2-methylidenebicyclo[5.2.0]nonane

C13H22 — CID 564732

IUPAC4,8,8-trimethyl-2-methylidenebicyclo[5.2.0]nonane
SMILESC=C1CC(C)CCC2C1CC2(C)C
InChIInChI=1S/C13H22/c1-9-5-6-12-11(10(2)7-9)8-13(12,3)4/h9,11-12H,2,5-8H2,1,3-4H3
InChIKeyCFCIQXMABLORQZ-UHFFFAOYSA-N
MW178.32 g/mol
LogP4.02
Rot. Bonds

About 4,8,8-trimethyl-2-methylidenebicyclo[5.2.0]nonane

4,8,8-trimethyl-2-methylidenebicyclo[5.2.0]nonane (PubChem CID 564732) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 4,8,8-trimethyl-2-methylidenebicyclo[5.2.0]nonane.

Molecular Properties

Compound Name4,8,8-trimethyl-2-methylidenebicyclo[5.2.0]nonane
PubChem CID564732
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name4,8,8-trimethyl-2-methylidenebicyclo[5.2.0]nonane
SMILESC=C1CC(C)CCC2C1CC2(C)C
InChIInChI=1S/C13H22/c1-9-5-6-12-11(10(2)7-9)8-13(12,3)4/h9,11-12H,2,5-8H2,1,3-4H3
InChIKeyCFCIQXMABLORQZ-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.02
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 4,8,8-trimethyl-2-methylidenebicyclo[5.2.0]nonane?
The IUPAC name of 4,8,8-trimethyl-2-methylidenebicyclo[5.2.0]nonane (CID 564732) is 4,8,8-trimethyl-2-methylidenebicyclo[5.2.0]nonane.
What is the SMILES notation for 4,8,8-trimethyl-2-methylidenebicyclo[5.2.0]nonane?
The canonical SMILES for 4,8,8-trimethyl-2-methylidenebicyclo[5.2.0]nonane is C=C1CC(C)CCC2C1CC2(C)C.
What is the InChIKey of 4,8,8-trimethyl-2-methylidenebicyclo[5.2.0]nonane?
The InChIKey is CFCIQXMABLORQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-9-5-6-12-11(10(2)7-9)8-13(12,3)4/h9,11-12H,2,5-8H2,1,3-4H3.
What are the key properties of 4,8,8-trimethyl-2-methylidenebicyclo[5.2.0]nonane?
4,8,8-trimethyl-2-methylidenebicyclo[5.2.0]nonane has a molecular weight of 178.32 g/mol, XLogP of 4.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8,8-trimethyl-2-methylidenebicyclo[5.2.0]nonane is sourced from PubChem (CID 564732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).