8-methyl-1-oxaspiro[4.5]dec-7-en-2-one

C10H14O2 — CID 10997405

IUPAC8-methyl-1-oxaspiro[4.5]dec-7-en-2-one
SMILESCC1=CCC2(CCC(=O)O2)CC1
InChIInChI=1S/C10H14O2/c1-8-2-5-10(6-3-8)7-4-9(11)12-10/h2H,3-7H2,1H3
InChIKeySMWMCNIJUHXQLU-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.19
Rot. Bonds

About 8-methyl-1-oxaspiro[4.5]dec-7-en-2-one

8-methyl-1-oxaspiro[4.5]dec-7-en-2-one (PubChem CID 10997405) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 8-methyl-1-oxaspiro[4.5]dec-7-en-2-one.

Molecular Properties

Compound Name8-methyl-1-oxaspiro[4.5]dec-7-en-2-one
PubChem CID10997405
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name8-methyl-1-oxaspiro[4.5]dec-7-en-2-one
SMILESCC1=CCC2(CCC(=O)O2)CC1
InChIInChI=1S/C10H14O2/c1-8-2-5-10(6-3-8)7-4-9(11)12-10/h2H,3-7H2,1H3
InChIKeySMWMCNIJUHXQLU-UHFFFAOYSA-N
XLogP2.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.19
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-1-oxaspiro[4.5]dec-7-en-2-one?
The IUPAC name of 8-methyl-1-oxaspiro[4.5]dec-7-en-2-one (CID 10997405) is 8-methyl-1-oxaspiro[4.5]dec-7-en-2-one.
What is the SMILES notation for 8-methyl-1-oxaspiro[4.5]dec-7-en-2-one?
The canonical SMILES for 8-methyl-1-oxaspiro[4.5]dec-7-en-2-one is CC1=CCC2(CCC(=O)O2)CC1.
What is the InChIKey of 8-methyl-1-oxaspiro[4.5]dec-7-en-2-one?
The InChIKey is SMWMCNIJUHXQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-8-2-5-10(6-3-8)7-4-9(11)12-10/h2H,3-7H2,1H3.
What are the key properties of 8-methyl-1-oxaspiro[4.5]dec-7-en-2-one?
8-methyl-1-oxaspiro[4.5]dec-7-en-2-one has a molecular weight of 166.22 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1-oxaspiro[4.5]dec-7-en-2-one is sourced from PubChem (CID 10997405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).