6,8-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one

C11H14O2 — CID 14589234

IUPAC6,8-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one
SMILESCC1=CC(C)C2(C=CC(=O)O2)CC1
InChIInChI=1S/C11H14O2/c1-8-3-5-11(9(2)7-8)6-4-10(12)13-11/h4,6-7,9H,3,5H2,1-2H3
InChIKeyKGWAWRXTGCXUJR-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.21
Rot. Bonds

About 6,8-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one

6,8-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one (PubChem CID 14589234) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 6,8-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one.

Molecular Properties

Compound Name6,8-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one
PubChem CID14589234
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name6,8-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one
SMILESCC1=CC(C)C2(C=CC(=O)O2)CC1
InChIInChI=1S/C11H14O2/c1-8-3-5-11(9(2)7-8)6-4-10(12)13-11/h4,6-7,9H,3,5H2,1-2H3
InChIKeyKGWAWRXTGCXUJR-UHFFFAOYSA-N
XLogP2.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

plakilactone C
CID 71451878
(-)-Actinidiolide
CID 11062957
(5S)-4,8-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one
CID 21668635
(5R)-3,5-diethyl-5-[(E,2R)-2-ethylhex-3-enyl]furan-2-one
CID 11586873
(5S)-3,5-diethyl-5-[(E,2R)-2-ethylhex-3-enyl]furan-2-one
CID 162856502
1-Oxaspiro(4.5)dec-3-en-2-one
CID 642952
Agn-PC-03E5J0
CID 11126831
2-(3-Methylbutyl)-2,3-dihydropyran-6-one
CID 135020461
3-Methyl-1-oxaspiro[4.5]dec-3-en-2-one
CID 10942809
[(1S,4R)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-yl] acetate
CID 11287016
tert-butyl (2E)-3-cyclohexylprop-2-enoate
CID 11287288
4-Methyl-1-oxaspiro[4.5]dec-3-en-2-one
CID 12471977

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one?
The IUPAC name of 6,8-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one (CID 14589234) is 6,8-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one.
What is the SMILES notation for 6,8-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one?
The canonical SMILES for 6,8-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one is CC1=CC(C)C2(C=CC(=O)O2)CC1.
What is the InChIKey of 6,8-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one?
The InChIKey is KGWAWRXTGCXUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-8-3-5-11(9(2)7-8)6-4-10(12)13-11/h4,6-7,9H,3,5H2,1-2H3.
What are the key properties of 6,8-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one?
6,8-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one has a molecular weight of 178.23 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one is sourced from PubChem (CID 14589234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).