6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-4-one

C15H24O — CID 53438182

IUPAC6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-4-one
SMILESC=C1CC(=O)CC(C)CCC2C1CC2(C)C
InChIInChI=1S/C15H24O/c1-10-5-6-14-13(9-15(14,3)4)11(2)8-12(16)7-10/h10,13-14H,2,5-9H2,1,3-4H3
InChIKeyXIFNHTVOUZHUCY-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.98
Rot. Bonds

About 6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-4-one

6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-4-one (PubChem CID 53438182) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-4-one.

Molecular Properties

Compound Name6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-4-one
PubChem CID53438182
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-4-one
SMILESC=C1CC(=O)CC(C)CCC2C1CC2(C)C
InChIInChI=1S/C15H24O/c1-10-5-6-14-13(9-15(14,3)4)11(2)8-12(16)7-10/h10,13-14H,2,5-9H2,1,3-4H3
InChIKeyXIFNHTVOUZHUCY-UHFFFAOYSA-N
XLogP3.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-4-one?
The IUPAC name of 6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-4-one (CID 53438182) is 6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-4-one.
What is the SMILES notation for 6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-4-one?
The canonical SMILES for 6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-4-one is C=C1CC(=O)CC(C)CCC2C1CC2(C)C.
What is the InChIKey of 6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-4-one?
The InChIKey is XIFNHTVOUZHUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-10-5-6-14-13(9-15(14,3)4)11(2)8-12(16)7-10/h10,13-14H,2,5-9H2,1,3-4H3.
What are the key properties of 6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-4-one?
6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-4-one has a molecular weight of 220.36 g/mol, XLogP of 3.98, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-4-one is sourced from PubChem (CID 53438182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).