8-methyl-4-methylidene-2-oxaspiro[4.4]non-7-ene-1,9-dione

C10H10O3 — CID 10749818

IUPAC8-methyl-4-methylidene-2-oxaspiro[4.4]non-7-ene-1,9-dione
SMILESC=C1COC(=O)C12CC=C(C)C2=O
InChIInChI=1S/C10H10O3/c1-6-3-4-10(8(6)11)7(2)5-13-9(10)12/h3H,2,4-5H2,1H3
InChIKeyIQPYVHIACMPTND-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.00
Rot. Bonds

About 8-methyl-4-methylidene-2-oxaspiro[4.4]non-7-ene-1,9-dione

8-methyl-4-methylidene-2-oxaspiro[4.4]non-7-ene-1,9-dione (PubChem CID 10749818) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is 8-methyl-4-methylidene-2-oxaspiro[4.4]non-7-ene-1,9-dione.

Molecular Properties

Compound Name8-methyl-4-methylidene-2-oxaspiro[4.4]non-7-ene-1,9-dione
PubChem CID10749818
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name8-methyl-4-methylidene-2-oxaspiro[4.4]non-7-ene-1,9-dione
SMILESC=C1COC(=O)C12CC=C(C)C2=O
InChIInChI=1S/C10H10O3/c1-6-3-4-10(8(6)11)7(2)5-13-9(10)12/h3H,2,4-5H2,1H3
InChIKeyIQPYVHIACMPTND-UHFFFAOYSA-N
XLogP1.00
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Prop-2-enyl 3-methyl-2-oxocyclopent-3-ene-1-carboxylate
CID 10511568
methyl (E)-4-(3-acetyl-2-oxooxolan-3-yl)but-2-enoate
CID 10889591
Prop-2-enyl 1-acetyl-2-methylcyclopent-2-ene-1-carboxylate
CID 12140614
(5S)-7,8-dimethyl-2-oxaspiro[4.4]non-7-ene-1,9-dione
CID 134964949
prop-2-enyl (3E)-3-ethylidene-2-oxo-1-prop-2-enylcyclopentane-1-carboxylate
CID 135037675
7-Methyl-4-methylidene-2-oxaspiro[4.4]non-7-ene-1,9-dione
CID 10725999
8-Methyl-2-oxaspiro[4.4]non-7-ene-1,4-dione
CID 86054341
2-Oxaspiro[4.5]dec-7-ene-1,6-dione
CID 11344200
(3Z)-5-methyl-3-(3,5,5-trimethylhexylidene)oxolan-2-one
CID 21024695
(3Z,5R)-5-methyl-3-(3,5,5-trimethylhexylidene)oxolan-2-one
CID 58619320
(3Z,5R)-5-methyl-3-[(3R)-3,5,5-trimethylhexylidene]oxolan-2-one
CID 58953021
(3E)-5-methyl-3-(3,5,5-trimethylhexylidene)oxolan-2-one
CID 66762453

Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-methylidene-2-oxaspiro[4.4]non-7-ene-1,9-dione?
The IUPAC name of 8-methyl-4-methylidene-2-oxaspiro[4.4]non-7-ene-1,9-dione (CID 10749818) is 8-methyl-4-methylidene-2-oxaspiro[4.4]non-7-ene-1,9-dione.
What is the SMILES notation for 8-methyl-4-methylidene-2-oxaspiro[4.4]non-7-ene-1,9-dione?
The canonical SMILES for 8-methyl-4-methylidene-2-oxaspiro[4.4]non-7-ene-1,9-dione is C=C1COC(=O)C12CC=C(C)C2=O.
What is the InChIKey of 8-methyl-4-methylidene-2-oxaspiro[4.4]non-7-ene-1,9-dione?
The InChIKey is IQPYVHIACMPTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3/c1-6-3-4-10(8(6)11)7(2)5-13-9(10)12/h3H,2,4-5H2,1H3.
What are the key properties of 8-methyl-4-methylidene-2-oxaspiro[4.4]non-7-ene-1,9-dione?
8-methyl-4-methylidene-2-oxaspiro[4.4]non-7-ene-1,9-dione has a molecular weight of 178.19 g/mol, XLogP of 1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-methylidene-2-oxaspiro[4.4]non-7-ene-1,9-dione is sourced from PubChem (CID 10749818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).