1,8-dimethylspiro[4.5]dec-8-en-4-one

C12H18O — CID 10997609

IUPAC1,8-dimethylspiro[4.5]dec-8-en-4-one
SMILESCC1=CCC2(CC1)C(=O)CCC2C
InChIInChI=1S/C12H18O/c1-9-5-7-12(8-6-9)10(2)3-4-11(12)13/h5,10H,3-4,6-8H2,1-2H3
InChIKeyLEFCVSOTHYWEPF-UHFFFAOYSA-N
MW178.28 g/mol
LogP3.10
Rot. Bonds

About 1,8-dimethylspiro[4.5]dec-8-en-4-one

1,8-dimethylspiro[4.5]dec-8-en-4-one (PubChem CID 10997609) has the molecular formula C12H18O and a molecular weight of 178.28 g/mol. Its IUPAC name is 1,8-dimethylspiro[4.5]dec-8-en-4-one.

Molecular Properties

Compound Name1,8-dimethylspiro[4.5]dec-8-en-4-one
PubChem CID10997609
Molecular FormulaC12H18O
Molecular Weight178.28 g/mol
Exact Mass178.14
IUPAC Name1,8-dimethylspiro[4.5]dec-8-en-4-one
SMILESCC1=CCC2(CC1)C(=O)CCC2C
InChIInChI=1S/C12H18O/c1-9-5-7-12(8-6-9)10(2)3-4-11(12)13/h5,10H,3-4,6-8H2,1-2H3
InChIKeyLEFCVSOTHYWEPF-UHFFFAOYSA-N
XLogP3.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 53.10
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 1,8-dimethylspiro[4.5]dec-8-en-4-one?
The IUPAC name of 1,8-dimethylspiro[4.5]dec-8-en-4-one (CID 10997609) is 1,8-dimethylspiro[4.5]dec-8-en-4-one.
What is the SMILES notation for 1,8-dimethylspiro[4.5]dec-8-en-4-one?
The canonical SMILES for 1,8-dimethylspiro[4.5]dec-8-en-4-one is CC1=CCC2(CC1)C(=O)CCC2C.
What is the InChIKey of 1,8-dimethylspiro[4.5]dec-8-en-4-one?
The InChIKey is LEFCVSOTHYWEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-9-5-7-12(8-6-9)10(2)3-4-11(12)13/h5,10H,3-4,6-8H2,1-2H3.
What are the key properties of 1,8-dimethylspiro[4.5]dec-8-en-4-one?
1,8-dimethylspiro[4.5]dec-8-en-4-one has a molecular weight of 178.28 g/mol, XLogP of 3.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethylspiro[4.5]dec-8-en-4-one is sourced from PubChem (CID 10997609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).