2-methylidene-1-oxaspiro[5.5]undec-3-en-5-one

C11H14O2 — CID 20695159

IUPAC2-methylidene-1-oxaspiro[5.5]undec-3-en-5-one
SMILESC=C1C=CC(=O)C2(CCCCC2)O1
InChIInChI=1S/C11H14O2/c1-9-5-6-10(12)11(13-9)7-3-2-4-8-11/h5-6H,1-4,7-8H2
InChIKeyQTDKVIIXQOERSL-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.36
Rot. Bonds

About 2-methylidene-1-oxaspiro[5.5]undec-3-en-5-one

2-methylidene-1-oxaspiro[5.5]undec-3-en-5-one (PubChem CID 20695159) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-methylidene-1-oxaspiro[5.5]undec-3-en-5-one.

Molecular Properties

Compound Name2-methylidene-1-oxaspiro[5.5]undec-3-en-5-one
PubChem CID20695159
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name2-methylidene-1-oxaspiro[5.5]undec-3-en-5-one
SMILESC=C1C=CC(=O)C2(CCCCC2)O1
InChIInChI=1S/C11H14O2/c1-9-5-6-10(12)11(13-9)7-3-2-4-8-11/h5-6H,1-4,7-8H2
InChIKeyQTDKVIIXQOERSL-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

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Related Compounds

(inverted exclamation markA)-CBCQ
CID 146657629
(2R)-2,6,6-trimethyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]pyran-3-one
CID 21778693
(1-Hexyl-6-oxocyclohexa-2,4-dien-1-yl) acetate
CID 134994779
7-Methylidene-6-oxaspiro[4.5]dec-8-en-10-one
CID 20695160
2-Ethyl-2-methyl-6-methylidenepyran-3-one;7-methylidene-6-oxaspiro[4.5]dec-8-en-10-one
CID 91295007
2,6-Dimethyl-2-(4-methylpent-3-enyl)-7-pentylchromene-5,8-dione
CID 146657619
2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-methyl-7-pentylchromene-5,8-dione
CID 146657628
2-methyl-7-pentyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]chromene-5,8-dione
CID 146657632
2-Methyl-7-pentyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)chromene-5,8-dione
CID 150232745
2-(4,8-Dimethylnona-3,7-dienyl)-2-methyl-7-pentylchromene-5,8-dione
CID 151915181
2-Ethyl-2-methyl-7-pentylchromene-5,8-dione
CID 154934568
(2S)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-methyl-7-pentylchromene-5,8-dione
CID 154934626

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-1-oxaspiro[5.5]undec-3-en-5-one?
The IUPAC name of 2-methylidene-1-oxaspiro[5.5]undec-3-en-5-one (CID 20695159) is 2-methylidene-1-oxaspiro[5.5]undec-3-en-5-one.
What is the SMILES notation for 2-methylidene-1-oxaspiro[5.5]undec-3-en-5-one?
The canonical SMILES for 2-methylidene-1-oxaspiro[5.5]undec-3-en-5-one is C=C1C=CC(=O)C2(CCCCC2)O1.
What is the InChIKey of 2-methylidene-1-oxaspiro[5.5]undec-3-en-5-one?
The InChIKey is QTDKVIIXQOERSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-9-5-6-10(12)11(13-9)7-3-2-4-8-11/h5-6H,1-4,7-8H2.
What are the key properties of 2-methylidene-1-oxaspiro[5.5]undec-3-en-5-one?
2-methylidene-1-oxaspiro[5.5]undec-3-en-5-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 2-methylidene-1-oxaspiro[5.5]undec-3-en-5-one is sourced from PubChem (CID 20695159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).