4-methylspiro[4.5]dec-2-en-10-one

C11H16O — CID 12923988

IUPAC4-methylspiro[4.5]dec-2-en-10-one
SMILESCC1C=CCC12CCCCC2=O
InChIInChI=1S/C11H16O/c1-9-5-4-8-11(9)7-3-2-6-10(11)12/h4-5,9H,2-3,6-8H2,1H3
InChIKeyLIYBNLMHXAPJAS-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.71
Rot. Bonds

About 4-methylspiro[4.5]dec-2-en-10-one

4-methylspiro[4.5]dec-2-en-10-one (PubChem CID 12923988) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 4-methylspiro[4.5]dec-2-en-10-one.

Molecular Properties

Compound Name4-methylspiro[4.5]dec-2-en-10-one
PubChem CID12923988
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name4-methylspiro[4.5]dec-2-en-10-one
SMILESCC1C=CCC12CCCCC2=O
InChIInChI=1S/C11H16O/c1-9-5-4-8-11(9)7-3-2-6-10(11)12/h4-5,9H,2-3,6-8H2,1H3
InChIKeyLIYBNLMHXAPJAS-UHFFFAOYSA-N
XLogP2.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4-methylspiro[4.5]dec-2-en-10-one?
The IUPAC name of 4-methylspiro[4.5]dec-2-en-10-one (CID 12923988) is 4-methylspiro[4.5]dec-2-en-10-one.
What is the SMILES notation for 4-methylspiro[4.5]dec-2-en-10-one?
The canonical SMILES for 4-methylspiro[4.5]dec-2-en-10-one is CC1C=CCC12CCCCC2=O.
What is the InChIKey of 4-methylspiro[4.5]dec-2-en-10-one?
The InChIKey is LIYBNLMHXAPJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-9-5-4-8-11(9)7-3-2-6-10(11)12/h4-5,9H,2-3,6-8H2,1H3.
What are the key properties of 4-methylspiro[4.5]dec-2-en-10-one?
4-methylspiro[4.5]dec-2-en-10-one has a molecular weight of 164.25 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylspiro[4.5]dec-2-en-10-one is sourced from PubChem (CID 12923988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).