8-methyl-4-methylidene-2-oxaspiro[4.5]decan-1-one

C11H16O2 — CID 102244727

IUPAC8-methyl-4-methylidene-2-oxaspiro[4.5]decan-1-one
SMILESC=C1COC(=O)C12CCC(C)CC2
InChIInChI=1S/C11H16O2/c1-8-3-5-11(6-4-8)9(2)7-13-10(11)12/h8H,2-7H2,1H3
InChIKeyOOQNLYCWVCOHTK-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.30
Rot. Bonds

About 8-methyl-4-methylidene-2-oxaspiro[4.5]decan-1-one

8-methyl-4-methylidene-2-oxaspiro[4.5]decan-1-one (PubChem CID 102244727) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 8-methyl-4-methylidene-2-oxaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-methyl-4-methylidene-2-oxaspiro[4.5]decan-1-one
PubChem CID102244727
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name8-methyl-4-methylidene-2-oxaspiro[4.5]decan-1-one
SMILESC=C1COC(=O)C12CCC(C)CC2
InChIInChI=1S/C11H16O2/c1-8-3-5-11(6-4-8)9(2)7-13-10(11)12/h8H,2-7H2,1H3
InChIKeyOOQNLYCWVCOHTK-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-methylidene-2-oxaspiro[4.5]decan-1-one?
The IUPAC name of 8-methyl-4-methylidene-2-oxaspiro[4.5]decan-1-one (CID 102244727) is 8-methyl-4-methylidene-2-oxaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-methyl-4-methylidene-2-oxaspiro[4.5]decan-1-one?
The canonical SMILES for 8-methyl-4-methylidene-2-oxaspiro[4.5]decan-1-one is C=C1COC(=O)C12CCC(C)CC2.
What is the InChIKey of 8-methyl-4-methylidene-2-oxaspiro[4.5]decan-1-one?
The InChIKey is OOQNLYCWVCOHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-8-3-5-11(6-4-8)9(2)7-13-10(11)12/h8H,2-7H2,1H3.
What are the key properties of 8-methyl-4-methylidene-2-oxaspiro[4.5]decan-1-one?
8-methyl-4-methylidene-2-oxaspiro[4.5]decan-1-one has a molecular weight of 180.25 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-methylidene-2-oxaspiro[4.5]decan-1-one is sourced from PubChem (CID 102244727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).