8-methyl-11-oxatricyclo[5.3.1.01,5]undecan-10-one

C11H16O2 — CID 12789272

IUPAC8-methyl-11-oxatricyclo[5.3.1.01,5]undecan-10-one
SMILESCC1CC(=O)C23CCCC2CC1O3
InChIInChI=1S/C11H16O2/c1-7-5-10(12)11-4-2-3-8(11)6-9(7)13-11/h7-9H,2-6H2,1H3
InChIKeyARKZJAHYEGFURT-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.92
Rot. Bonds

About 8-methyl-11-oxatricyclo[5.3.1.01,5]undecan-10-one

8-methyl-11-oxatricyclo[5.3.1.01,5]undecan-10-one (PubChem CID 12789272) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 8-methyl-11-oxatricyclo[5.3.1.01,5]undecan-10-one.

Molecular Properties

Compound Name8-methyl-11-oxatricyclo[5.3.1.01,5]undecan-10-one
PubChem CID12789272
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name8-methyl-11-oxatricyclo[5.3.1.01,5]undecan-10-one
SMILESCC1CC(=O)C23CCCC2CC1O3
InChIInChI=1S/C11H16O2/c1-7-5-10(12)11-4-2-3-8(11)6-9(7)13-11/h7-9H,2-6H2,1H3
InChIKeyARKZJAHYEGFURT-UHFFFAOYSA-N
XLogP1.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-11-oxatricyclo[5.3.1.01,5]undecan-10-one?
The IUPAC name of 8-methyl-11-oxatricyclo[5.3.1.01,5]undecan-10-one (CID 12789272) is 8-methyl-11-oxatricyclo[5.3.1.01,5]undecan-10-one.
What is the SMILES notation for 8-methyl-11-oxatricyclo[5.3.1.01,5]undecan-10-one?
The canonical SMILES for 8-methyl-11-oxatricyclo[5.3.1.01,5]undecan-10-one is CC1CC(=O)C23CCCC2CC1O3.
What is the InChIKey of 8-methyl-11-oxatricyclo[5.3.1.01,5]undecan-10-one?
The InChIKey is ARKZJAHYEGFURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-7-5-10(12)11-4-2-3-8(11)6-9(7)13-11/h7-9H,2-6H2,1H3.
What are the key properties of 8-methyl-11-oxatricyclo[5.3.1.01,5]undecan-10-one?
8-methyl-11-oxatricyclo[5.3.1.01,5]undecan-10-one has a molecular weight of 180.25 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-11-oxatricyclo[5.3.1.01,5]undecan-10-one is sourced from PubChem (CID 12789272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).