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

C10H12O2 — CID 14589233

IUPAC6-methyl-1-oxaspiro[4.5]deca-3,7-dien-2-one
SMILESCC1C=CCCC12C=CC(=O)O2
InChIInChI=1S/C10H12O2/c1-8-4-2-3-6-10(8)7-5-9(11)12-10/h2,4-5,7-8H,3,6H2,1H3
InChIKeyAFVBQIKFYFTPHL-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.82
Rot. Bonds

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

6-methyl-1-oxaspiro[4.5]deca-3,7-dien-2-one (PubChem CID 14589233) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 6-methyl-1-oxaspiro[4.5]deca-3,7-dien-2-one.

Molecular Properties

Compound Name6-methyl-1-oxaspiro[4.5]deca-3,7-dien-2-one
PubChem CID14589233
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name6-methyl-1-oxaspiro[4.5]deca-3,7-dien-2-one
SMILESCC1C=CCCC12C=CC(=O)O2
InChIInChI=1S/C10H12O2/c1-8-4-2-3-6-10(8)7-5-9(11)12-10/h2,4-5,7-8H,3,6H2,1H3
InChIKeyAFVBQIKFYFTPHL-UHFFFAOYSA-N
XLogP1.82
TPSA26.30 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 ≤ 51.82
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

6-methyl-1-oxaspiro[4.5]dec-3-en-2-one
CID 72795950
(3R,4S)-3-ethenyl-5-oxaspiro[3.4]oct-7-en-6-one
CID 102096453
(5S,6S)-4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione
CID 46173847
(5R,6S)-6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-oxaspiro[4.5]dec-3-ene-2,8-dione
CID 15350695
6-phenylmethoxy-1-oxaspiro[4.5]dec-3-en-2-one
CID 10753686
(1S,3R,4R)-1,4,8-trihydroxyspiro[2,4-dihydro-1H-naphthalene-3,5'-furan]-2'-one
CID 102410271
5,5,6,6-tetramethylpyran-2-one
CID 141046909
1-cyclohexyl-2-methylcyclohex-3-en-1-ol
CID 25228119
5-cyclopent-2-en-1-yl-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 72789723
(5R)-5-hydroxy-5-[(2S)-2-hydroxy-5-oxofuran-2-yl]furan-2-one
CID 95562580
5,5-dichlorofuran-2-one
CID 15709253
5-methyl-5-(2,2,2-trifluoroethyl)furan-2-one
CID 57457743

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-oxaspiro[4.5]deca-3,7-dien-2-one?
The IUPAC name of 6-methyl-1-oxaspiro[4.5]deca-3,7-dien-2-one (CID 14589233) is 6-methyl-1-oxaspiro[4.5]deca-3,7-dien-2-one.
What is the SMILES notation for 6-methyl-1-oxaspiro[4.5]deca-3,7-dien-2-one?
The canonical SMILES for 6-methyl-1-oxaspiro[4.5]deca-3,7-dien-2-one is CC1C=CCCC12C=CC(=O)O2.
What is the InChIKey of 6-methyl-1-oxaspiro[4.5]deca-3,7-dien-2-one?
The InChIKey is AFVBQIKFYFTPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-8-4-2-3-6-10(8)7-5-9(11)12-10/h2,4-5,7-8H,3,6H2,1H3.
What are the key properties of 6-methyl-1-oxaspiro[4.5]deca-3,7-dien-2-one?
6-methyl-1-oxaspiro[4.5]deca-3,7-dien-2-one has a molecular weight of 164.20 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-oxaspiro[4.5]deca-3,7-dien-2-one is sourced from PubChem (CID 14589233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).