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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Related Compounds

8-methylspiro[3.4]octan-3-one
CID 557011
9-methylspiro[3.5]nonan-3-one
CID 557033
(10R)-10-methylspiro[4.5]decan-4-one
CID 130834325
(2S)-2-[(1R,4S,5S)-1,8-dimethylspiro[4.5]dec-8-en-4-yl]-2-methyloxirane
CID 165415543
1-methylspiro[4.5]deca-7,9-dien-4-one
CID 11449487
3-iodo-5,9-dimethyl-1-oxaspiro[5.5]undec-9-en-2-one
CID 70469933
(1S,4S,5R)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene
CID 102207117
3,6,9,9-tetramethyl-2,3,4,5,8,9a-hexahydro-1H-cyclopenta[8]annulen-3a-ol
CID 162871416
2-[(1S,5R)-1,8-dimethylspiro[4.5]dec-8-en-4-yl]propan-2-ol
CID 11972555
2-[(1S,4S,5S)-1,8-dimethylspiro[4.5]dec-8-en-4-yl]propan-2-ol
CID 23642749
4-ethyl-6,8a-dimethyl-2,3,4,4a,5,8-hexahydronaphthalen-1-one
CID 23103006
3,9-dimethyl-2,4-dioxaspiro[5.5]undec-9-ene
CID 5244370

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).