10,10-dimethylbicyclo[7.2.0]undecan-2-one

C13H22O — CID 91392358

IUPAC10,10-dimethylbicyclo[7.2.0]undecan-2-one
SMILESCC1(C)CC2C(=O)CCCCCCC21
InChIInChI=1S/C13H22O/c1-13(2)9-10-11(13)7-5-3-4-6-8-12(10)14/h10-11H,3-9H2,1-2H3
InChIKeyBOCIRCZREQZUQG-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.57
Rot. Bonds

About 10,10-dimethylbicyclo[7.2.0]undecan-2-one

10,10-dimethylbicyclo[7.2.0]undecan-2-one (PubChem CID 91392358) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 10,10-dimethylbicyclo[7.2.0]undecan-2-one.

Molecular Properties

Compound Name10,10-dimethylbicyclo[7.2.0]undecan-2-one
PubChem CID91392358
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name10,10-dimethylbicyclo[7.2.0]undecan-2-one
SMILESCC1(C)CC2C(=O)CCCCCCC21
InChIInChI=1S/C13H22O/c1-13(2)9-10-11(13)7-5-3-4-6-8-12(10)14/h10-11H,3-9H2,1-2H3
InChIKeyBOCIRCZREQZUQG-UHFFFAOYSA-N
XLogP3.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 10,10-dimethylbicyclo[7.2.0]undecan-2-one?
The IUPAC name of 10,10-dimethylbicyclo[7.2.0]undecan-2-one (CID 91392358) is 10,10-dimethylbicyclo[7.2.0]undecan-2-one.
What is the SMILES notation for 10,10-dimethylbicyclo[7.2.0]undecan-2-one?
The canonical SMILES for 10,10-dimethylbicyclo[7.2.0]undecan-2-one is CC1(C)CC2C(=O)CCCCCCC21.
What is the InChIKey of 10,10-dimethylbicyclo[7.2.0]undecan-2-one?
The InChIKey is BOCIRCZREQZUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-13(2)9-10-11(13)7-5-3-4-6-8-12(10)14/h10-11H,3-9H2,1-2H3.
What are the key properties of 10,10-dimethylbicyclo[7.2.0]undecan-2-one?
10,10-dimethylbicyclo[7.2.0]undecan-2-one has a molecular weight of 194.32 g/mol, XLogP of 3.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethylbicyclo[7.2.0]undecan-2-one is sourced from PubChem (CID 91392358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).