5,6,7,8-tetramethyl-1-oxaspiro[2.5]octa-5,7-dien-4-one

C11H14O2 — CID 134892402

IUPAC5,6,7,8-tetramethyl-1-oxaspiro[2.5]octa-5,7-dien-4-one
SMILESCC1=C(C)C(C)=C(C)C2(CO2)C1=O
InChIInChI=1S/C11H14O2/c1-6-7(2)9(4)11(5-13-11)10(12)8(6)3/h5H2,1-4H3
InChIKeyTTWWKXOJKYGXSH-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.01
Rot. Bonds

About 5,6,7,8-tetramethyl-1-oxaspiro[2.5]octa-5,7-dien-4-one

5,6,7,8-tetramethyl-1-oxaspiro[2.5]octa-5,7-dien-4-one (PubChem CID 134892402) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 5,6,7,8-tetramethyl-1-oxaspiro[2.5]octa-5,7-dien-4-one.

Molecular Properties

Compound Name5,6,7,8-tetramethyl-1-oxaspiro[2.5]octa-5,7-dien-4-one
PubChem CID134892402
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name5,6,7,8-tetramethyl-1-oxaspiro[2.5]octa-5,7-dien-4-one
SMILESCC1=C(C)C(C)=C(C)C2(CO2)C1=O
InChIInChI=1S/C11H14O2/c1-6-7(2)9(4)11(5-13-11)10(12)8(6)3/h5H2,1-4H3
InChIKeyTTWWKXOJKYGXSH-UHFFFAOYSA-N
XLogP2.01
TPSA29.60 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 ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 5,6,7,8-tetramethyl-1-oxaspiro[2.5]octa-5,7-dien-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,7-Ditert-butyl-1-oxaspiro[2.5]octa-5,7-dien-4-one
CID 12674226
5-Tert-butyl-7-methyl-1-oxaspiro[2.5]octa-5,7-dien-4-one
CID 12674227
6,8-Dimethyl-5-prop-2-enyl-1-oxaspiro[2.5]octa-5,7-dien-4-one
CID 16112349
4-Acetyl-6-methoxy-2,3,5,6-tetramethylcyclohexa-2,4-dien-1-one
CID 155932666
(3R)-8-methyl-5-propan-2-yl-1-oxaspiro[2.5]octa-5,7-dien-4-one
CID 60104840
(3R)-5-tert-butyl-7-methyl-1-oxaspiro[2.5]octa-5,7-dien-4-one
CID 60104841
ethane;(3R)-7-methyl-5-propan-2-yl-1-oxaspiro[2.5]octa-5,7-dien-4-one
CID 142133780
Ethane;8-methyl-5-propan-2-yl-1-oxaspiro[2.5]octa-5,7-dien-4-one
CID 142133783
(1S,5S)-1,3,4,5-tetramethyl-6-oxabicyclo[3.1.0]hex-3-en-2-one
CID 10397001
5,6,8-Trimethyl-1-oxaspiro[2.5]octa-5,7-dien-4-one
CID 12674228
5,8-Dimethyl-1-oxaspiro[2.5]octa-5,7-dien-4-one
CID 15343948
8-Methyl-5-propan-2-yl-1-oxaspiro[2.5]octa-5,7-dien-4-one
CID 15343951

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetramethyl-1-oxaspiro[2.5]octa-5,7-dien-4-one?
The IUPAC name of 5,6,7,8-tetramethyl-1-oxaspiro[2.5]octa-5,7-dien-4-one (CID 134892402) is 5,6,7,8-tetramethyl-1-oxaspiro[2.5]octa-5,7-dien-4-one.
What is the SMILES notation for 5,6,7,8-tetramethyl-1-oxaspiro[2.5]octa-5,7-dien-4-one?
The canonical SMILES for 5,6,7,8-tetramethyl-1-oxaspiro[2.5]octa-5,7-dien-4-one is CC1=C(C)C(C)=C(C)C2(CO2)C1=O.
What is the InChIKey of 5,6,7,8-tetramethyl-1-oxaspiro[2.5]octa-5,7-dien-4-one?
The InChIKey is TTWWKXOJKYGXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-6-7(2)9(4)11(5-13-11)10(12)8(6)3/h5H2,1-4H3.
What are the key properties of 5,6,7,8-tetramethyl-1-oxaspiro[2.5]octa-5,7-dien-4-one?
5,6,7,8-tetramethyl-1-oxaspiro[2.5]octa-5,7-dien-4-one has a molecular weight of 178.23 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetramethyl-1-oxaspiro[2.5]octa-5,7-dien-4-one is sourced from PubChem (CID 134892402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).