4,8-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one

C11H14O2 — CID 11126831

IUPAC4,8-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one
SMILESCC1=CCC2(CC1)OC(=O)C=C2C
InChIInChI=1S/C11H14O2/c1-8-3-5-11(6-4-8)9(2)7-10(12)13-11/h3,7H,4-6H2,1-2H3
InChIKeyBDJHZBSSFOFAQX-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.36
Rot. Bonds

About 4,8-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one

4,8-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one (PubChem CID 11126831) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 4,8-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one.

Molecular Properties

Compound Name4,8-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one
PubChem CID11126831
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name4,8-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one
SMILESCC1=CCC2(CC1)OC(=O)C=C2C
InChIInChI=1S/C11H14O2/c1-8-3-5-11(6-4-8)9(2)7-10(12)13-11/h3,7H,4-6H2,1-2H3
InChIKeyBDJHZBSSFOFAQX-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
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 4,8-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one?
The IUPAC name of 4,8-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one (CID 11126831) is 4,8-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one.
What is the SMILES notation for 4,8-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one?
The canonical SMILES for 4,8-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one is CC1=CCC2(CC1)OC(=O)C=C2C.
What is the InChIKey of 4,8-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one?
The InChIKey is BDJHZBSSFOFAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-8-3-5-11(6-4-8)9(2)7-10(12)13-11/h3,7H,4-6H2,1-2H3.
What are the key properties of 4,8-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one?
4,8-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one has a molecular weight of 178.23 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one is sourced from PubChem (CID 11126831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).