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

C10H10O3 — CID 134853203

IUPAC8-methyl-9-methylidene-2-oxaspiro[4.4]non-7-ene-1,4-dione
SMILESC=C1C(C)=CCC12C(=O)COC2=O
InChIInChI=1S/C10H10O3/c1-6-3-4-10(7(6)2)8(11)5-13-9(10)12/h3H,2,4-5H2,1H3
InChIKeyLNPZOUKJQVYULB-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.00
Rot. Bonds

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

8-methyl-9-methylidene-2-oxaspiro[4.4]non-7-ene-1,4-dione (PubChem CID 134853203) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is 8-methyl-9-methylidene-2-oxaspiro[4.4]non-7-ene-1,4-dione.

Molecular Properties

Compound Name8-methyl-9-methylidene-2-oxaspiro[4.4]non-7-ene-1,4-dione
PubChem CID134853203
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name8-methyl-9-methylidene-2-oxaspiro[4.4]non-7-ene-1,4-dione
SMILESC=C1C(C)=CCC12C(=O)COC2=O
InChIInChI=1S/C10H10O3/c1-6-3-4-10(7(6)2)8(11)5-13-9(10)12/h3H,2,4-5H2,1H3
InChIKeyLNPZOUKJQVYULB-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'}

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-9-methylidene-2-oxaspiro[4.4]non-7-ene-1,4-dione?
The IUPAC name of 8-methyl-9-methylidene-2-oxaspiro[4.4]non-7-ene-1,4-dione (CID 134853203) is 8-methyl-9-methylidene-2-oxaspiro[4.4]non-7-ene-1,4-dione.
What is the SMILES notation for 8-methyl-9-methylidene-2-oxaspiro[4.4]non-7-ene-1,4-dione?
The canonical SMILES for 8-methyl-9-methylidene-2-oxaspiro[4.4]non-7-ene-1,4-dione is C=C1C(C)=CCC12C(=O)COC2=O.
What is the InChIKey of 8-methyl-9-methylidene-2-oxaspiro[4.4]non-7-ene-1,4-dione?
The InChIKey is LNPZOUKJQVYULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3/c1-6-3-4-10(7(6)2)8(11)5-13-9(10)12/h3H,2,4-5H2,1H3.
What are the key properties of 8-methyl-9-methylidene-2-oxaspiro[4.4]non-7-ene-1,4-dione?
8-methyl-9-methylidene-2-oxaspiro[4.4]non-7-ene-1,4-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-9-methylidene-2-oxaspiro[4.4]non-7-ene-1,4-dione is sourced from PubChem (CID 134853203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).