8,10-dimethyl-9-oxatricyclo[5.3.0.02,5]deca-1(10),7-dien-3-one

C11H12O2 — CID 118480022

IUPAC8,10-dimethyl-9-oxatricyclo[5.3.0.02,5]deca-1(10),7-dien-3-one
SMILESCc1oc(C)c2c1CC1CC(=O)C21
InChIInChI=1S/C11H12O2/c1-5-8-3-7-4-9(12)11(7)10(8)6(2)13-5/h7,11H,3-4H2,1-2H3
InChIKeyPMHYNKYVNZPJSO-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.13
Rot. Bonds

About 8,10-dimethyl-9-oxatricyclo[5.3.0.02,5]deca-1(10),7-dien-3-one

8,10-dimethyl-9-oxatricyclo[5.3.0.02,5]deca-1(10),7-dien-3-one (PubChem CID 118480022) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 8,10-dimethyl-9-oxatricyclo[5.3.0.02,5]deca-1(10),7-dien-3-one.

Molecular Properties

Compound Name8,10-dimethyl-9-oxatricyclo[5.3.0.02,5]deca-1(10),7-dien-3-one
PubChem CID118480022
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name8,10-dimethyl-9-oxatricyclo[5.3.0.02,5]deca-1(10),7-dien-3-one
SMILESCc1oc(C)c2c1CC1CC(=O)C21
InChIInChI=1S/C11H12O2/c1-5-8-3-7-4-9(12)11(7)10(8)6(2)13-5/h7,11H,3-4H2,1-2H3
InChIKeyPMHYNKYVNZPJSO-UHFFFAOYSA-N
XLogP2.13
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3-ethyl-4-methyl-2-(5-methylfuran-2-yl)cyclopentan-1-one
CID 139527330
(1R,4R,8S)-3,8-dimethyl-2-azabicyclo[2.2.2]oct-2-en-5-one
CID 163031522
bicyclo[3.2.0]heptane-3,6-dione
CID 141109024
2,3-dimethylcyclobutan-1-one
CID 544588
cis-(2R,3S)-2,3-dimethylcyclobutan-1-one
CID 22213570
2-oxatricyclo[5.3.1.04,11]undecane-3,5-dione
CID 14478701
2-hydroxy-4,5-dimethylcyclohexan-1-one
CID 91573785
2-methyloxan-3-one
CID 11073379
(5S)-5-methyloxan-3-one
CID 15062435
(1S,2R,5S)-2-methylbicyclo[3.2.0]heptan-3-one
CID 59077256

Frequently Asked Questions

What is the IUPAC name of 8,10-dimethyl-9-oxatricyclo[5.3.0.02,5]deca-1(10),7-dien-3-one?
The IUPAC name of 8,10-dimethyl-9-oxatricyclo[5.3.0.02,5]deca-1(10),7-dien-3-one (CID 118480022) is 8,10-dimethyl-9-oxatricyclo[5.3.0.02,5]deca-1(10),7-dien-3-one.
What is the SMILES notation for 8,10-dimethyl-9-oxatricyclo[5.3.0.02,5]deca-1(10),7-dien-3-one?
The canonical SMILES for 8,10-dimethyl-9-oxatricyclo[5.3.0.02,5]deca-1(10),7-dien-3-one is Cc1oc(C)c2c1CC1CC(=O)C21.
What is the InChIKey of 8,10-dimethyl-9-oxatricyclo[5.3.0.02,5]deca-1(10),7-dien-3-one?
The InChIKey is PMHYNKYVNZPJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-5-8-3-7-4-9(12)11(7)10(8)6(2)13-5/h7,11H,3-4H2,1-2H3.
What are the key properties of 8,10-dimethyl-9-oxatricyclo[5.3.0.02,5]deca-1(10),7-dien-3-one?
8,10-dimethyl-9-oxatricyclo[5.3.0.02,5]deca-1(10),7-dien-3-one has a molecular weight of 176.22 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10-dimethyl-9-oxatricyclo[5.3.0.02,5]deca-1(10),7-dien-3-one is sourced from PubChem (CID 118480022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).