11-methyl-1-oxaspiro[5.5]undec-2-en-4-one

C11H16O2 — CID 16749761

IUPAC11-methyl-1-oxaspiro[5.5]undec-2-en-4-one
SMILESCC1CCCCC12CC(=O)C=CO2
InChIInChI=1S/C11H16O2/c1-9-4-2-3-6-11(9)8-10(12)5-7-13-11/h5,7,9H,2-4,6,8H2,1H3
InChIKeyVMSAQAVZXSLITR-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.44
Rot. Bonds

About 11-methyl-1-oxaspiro[5.5]undec-2-en-4-one

11-methyl-1-oxaspiro[5.5]undec-2-en-4-one (PubChem CID 16749761) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 11-methyl-1-oxaspiro[5.5]undec-2-en-4-one.

Molecular Properties

Compound Name11-methyl-1-oxaspiro[5.5]undec-2-en-4-one
PubChem CID16749761
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name11-methyl-1-oxaspiro[5.5]undec-2-en-4-one
SMILESCC1CCCCC12CC(=O)C=CO2
InChIInChI=1S/C11H16O2/c1-9-4-2-3-6-11(9)8-10(12)5-7-13-11/h5,7,9H,2-4,6,8H2,1H3
InChIKeyVMSAQAVZXSLITR-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11-methyl-1-oxaspiro[5.5]undec-2-en-4-one?
The IUPAC name of 11-methyl-1-oxaspiro[5.5]undec-2-en-4-one (CID 16749761) is 11-methyl-1-oxaspiro[5.5]undec-2-en-4-one.
What is the SMILES notation for 11-methyl-1-oxaspiro[5.5]undec-2-en-4-one?
The canonical SMILES for 11-methyl-1-oxaspiro[5.5]undec-2-en-4-one is CC1CCCCC12CC(=O)C=CO2.
What is the InChIKey of 11-methyl-1-oxaspiro[5.5]undec-2-en-4-one?
The InChIKey is VMSAQAVZXSLITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-9-4-2-3-6-11(9)8-10(12)5-7-13-11/h5,7,9H,2-4,6,8H2,1H3.
What are the key properties of 11-methyl-1-oxaspiro[5.5]undec-2-en-4-one?
11-methyl-1-oxaspiro[5.5]undec-2-en-4-one has a molecular weight of 180.25 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-1-oxaspiro[5.5]undec-2-en-4-one is sourced from PubChem (CID 16749761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).