8,11-dimethylidenebicyclo[5.3.1]undecan-2-one

C13H18O — CID 86076486

IUPAC8,11-dimethylidenebicyclo[5.3.1]undecan-2-one
SMILESC=C1CCC2C(=C)C1CCCCC2=O
InChIInChI=1S/C13H18O/c1-9-7-8-12-10(2)11(9)5-3-4-6-13(12)14/h11-12H,1-8H2
InChIKeyBBUVVYWFBPIRLQ-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.27
Rot. Bonds

About 8,11-dimethylidenebicyclo[5.3.1]undecan-2-one

8,11-dimethylidenebicyclo[5.3.1]undecan-2-one (PubChem CID 86076486) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 8,11-dimethylidenebicyclo[5.3.1]undecan-2-one.

Molecular Properties

Compound Name8,11-dimethylidenebicyclo[5.3.1]undecan-2-one
PubChem CID86076486
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name8,11-dimethylidenebicyclo[5.3.1]undecan-2-one
SMILESC=C1CCC2C(=C)C1CCCCC2=O
InChIInChI=1S/C13H18O/c1-9-7-8-12-10(2)11(9)5-3-4-6-13(12)14/h11-12H,1-8H2
InChIKeyBBUVVYWFBPIRLQ-UHFFFAOYSA-N
XLogP3.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 14548752
2-methylidenecyclohexane-1-carboxylic acid
CID 14111060
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CID 123244832
2-oxocyclohexane-1-carboxylic acid;zirconium
CID 175193773
2-hydroxycycloundecan-1-one
CID 12608300
(1R,2R,9S,10S)-tricyclo[8.6.0.02,9]hexadecane-3,16-dione
CID 102059008
2-hydroxycyclotetracosan-1-one
CID 13429421
(3aR)-1-hydroxy-3-methylidene-4,5,6,7-tetrahydro-3aH-inden-2-one
CID 102594203
(2R)-2-(4-methylphenyl)cyclohexan-1-one
CID 11030573
1,6-bis(2-oxocyclohexyl)hexane-1,6-dione
CID 154092902
2-acetylcyclododecan-1-one
CID 4255606
2-oxocyclopentane-1-carbothioic S-acid
CID 19374959

Frequently Asked Questions

What is the IUPAC name of 8,11-dimethylidenebicyclo[5.3.1]undecan-2-one?
The IUPAC name of 8,11-dimethylidenebicyclo[5.3.1]undecan-2-one (CID 86076486) is 8,11-dimethylidenebicyclo[5.3.1]undecan-2-one.
What is the SMILES notation for 8,11-dimethylidenebicyclo[5.3.1]undecan-2-one?
The canonical SMILES for 8,11-dimethylidenebicyclo[5.3.1]undecan-2-one is C=C1CCC2C(=C)C1CCCCC2=O.
What is the InChIKey of 8,11-dimethylidenebicyclo[5.3.1]undecan-2-one?
The InChIKey is BBUVVYWFBPIRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-9-7-8-12-10(2)11(9)5-3-4-6-13(12)14/h11-12H,1-8H2.
What are the key properties of 8,11-dimethylidenebicyclo[5.3.1]undecan-2-one?
8,11-dimethylidenebicyclo[5.3.1]undecan-2-one has a molecular weight of 190.29 g/mol, XLogP of 3.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,11-dimethylidenebicyclo[5.3.1]undecan-2-one is sourced from PubChem (CID 86076486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).