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

C10H12O2 — CID 12674228

IUPAC5,6,8-trimethyl-1-oxaspiro[2.5]octa-5,7-dien-4-one
SMILESCC1=CC(C)=C(C)C(=O)C12CO2
InChIInChI=1S/C10H12O2/c1-6-4-7(2)10(5-12-10)9(11)8(6)3/h4H,5H2,1-3H3
InChIKeyIWQSUBBVHNFTKL-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.62
Rot. Bonds

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

5,6,8-trimethyl-1-oxaspiro[2.5]octa-5,7-dien-4-one (PubChem CID 12674228) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 5,6,8-trimethyl-1-oxaspiro[2.5]octa-5,7-dien-4-one.

Molecular Properties

Compound Name5,6,8-trimethyl-1-oxaspiro[2.5]octa-5,7-dien-4-one
PubChem CID12674228
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name5,6,8-trimethyl-1-oxaspiro[2.5]octa-5,7-dien-4-one
SMILESCC1=CC(C)=C(C)C(=O)C12CO2
InChIInChI=1S/C10H12O2/c1-6-4-7(2)10(5-12-10)9(11)8(6)3/h4H,5H2,1-3H3
InChIKeyIWQSUBBVHNFTKL-UHFFFAOYSA-N
XLogP1.62
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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
5,6,7,8-Tetramethyl-1-oxaspiro[2.5]octa-5,7-dien-4-one
CID 134892402
2-Ethenyl-3,4-dimethoxy-4-prop-2-enylcyclobut-2-en-1-one
CID 14593194
1,3-Dimethyl-6-oxabicyclo[3.1.0]hex-3-en-2-one
CID 71370339
(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
(3R)-5-tert-butyl-8-methyl-1-oxaspiro[2.5]octa-5,7-dien-4-one
CID 60104843
3-Methyl-6-prop-1-en-2-yl-7-oxabicyclo[4.1.0]hept-3-en-2-one
CID 139775745
1-(7-Oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)propan-1-one
CID 140997049
ethane;(3R)-7-methyl-5-propan-2-yl-1-oxaspiro[2.5]octa-5,7-dien-4-one
CID 142133780

Frequently Asked Questions

What is the IUPAC name of 5,6,8-trimethyl-1-oxaspiro[2.5]octa-5,7-dien-4-one?
The IUPAC name of 5,6,8-trimethyl-1-oxaspiro[2.5]octa-5,7-dien-4-one (CID 12674228) is 5,6,8-trimethyl-1-oxaspiro[2.5]octa-5,7-dien-4-one.
What is the SMILES notation for 5,6,8-trimethyl-1-oxaspiro[2.5]octa-5,7-dien-4-one?
The canonical SMILES for 5,6,8-trimethyl-1-oxaspiro[2.5]octa-5,7-dien-4-one is CC1=CC(C)=C(C)C(=O)C12CO2.
What is the InChIKey of 5,6,8-trimethyl-1-oxaspiro[2.5]octa-5,7-dien-4-one?
The InChIKey is IWQSUBBVHNFTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-6-4-7(2)10(5-12-10)9(11)8(6)3/h4H,5H2,1-3H3.
What are the key properties of 5,6,8-trimethyl-1-oxaspiro[2.5]octa-5,7-dien-4-one?
5,6,8-trimethyl-1-oxaspiro[2.5]octa-5,7-dien-4-one has a molecular weight of 164.20 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,8-trimethyl-1-oxaspiro[2.5]octa-5,7-dien-4-one is sourced from PubChem (CID 12674228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).