2,3-dimethoxy-9-methylidenespiro[4.4]non-2-ene-4,8-dione

C12H14O4 — CID 11138700

IUPAC2,3-dimethoxy-9-methylidenespiro[4.4]non-2-ene-4,8-dione
SMILESC=C1C(=O)CCC12CC(OC)=C(OC)C2=O
InChIInChI=1S/C12H14O4/c1-7-8(13)4-5-12(7)6-9(15-2)10(16-3)11(12)14/h1,4-6H2,2-3H3
InChIKeyBJUONPHPXRWJIU-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.37
Rot. Bonds2

About 2,3-dimethoxy-9-methylidenespiro[4.4]non-2-ene-4,8-dione

2,3-dimethoxy-9-methylidenespiro[4.4]non-2-ene-4,8-dione (PubChem CID 11138700) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2,3-dimethoxy-9-methylidenespiro[4.4]non-2-ene-4,8-dione.

Molecular Properties

Compound Name2,3-dimethoxy-9-methylidenespiro[4.4]non-2-ene-4,8-dione
PubChem CID11138700
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name2,3-dimethoxy-9-methylidenespiro[4.4]non-2-ene-4,8-dione
SMILESC=C1C(=O)CCC12CC(OC)=C(OC)C2=O
InChIInChI=1S/C12H14O4/c1-7-8(13)4-5-12(7)6-9(15-2)10(16-3)11(12)14/h1,4-6H2,2-3H3
InChIKeyBJUONPHPXRWJIU-UHFFFAOYSA-N
XLogP1.37
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2,3-Dimethoxy-9-methylidenespiro[4.4]non-2-en-4-one
CID 121014676
(9E)-2,3-dimethoxy-9-(methoxymethylidene)spiro[4.4]non-2-ene-1,4-dione
CID 10956030
2,3-Dimethoxy-4-oxospiro[4.4]nona-2,8-diene-9-carbaldehyde
CID 11031436
(9E)-2,3-dimethoxy-9-(methoxymethylidene)spiro[4.4]non-2-en-4-one
CID 11746678
(5R)-2,3-dimethoxy-9-methylidenespiro[4.4]non-2-en-4-one
CID 102086927

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-9-methylidenespiro[4.4]non-2-ene-4,8-dione?
The IUPAC name of 2,3-dimethoxy-9-methylidenespiro[4.4]non-2-ene-4,8-dione (CID 11138700) is 2,3-dimethoxy-9-methylidenespiro[4.4]non-2-ene-4,8-dione.
What is the SMILES notation for 2,3-dimethoxy-9-methylidenespiro[4.4]non-2-ene-4,8-dione?
The canonical SMILES for 2,3-dimethoxy-9-methylidenespiro[4.4]non-2-ene-4,8-dione is C=C1C(=O)CCC12CC(OC)=C(OC)C2=O.
What is the InChIKey of 2,3-dimethoxy-9-methylidenespiro[4.4]non-2-ene-4,8-dione?
The InChIKey is BJUONPHPXRWJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c1-7-8(13)4-5-12(7)6-9(15-2)10(16-3)11(12)14/h1,4-6H2,2-3H3.
What are the key properties of 2,3-dimethoxy-9-methylidenespiro[4.4]non-2-ene-4,8-dione?
2,3-dimethoxy-9-methylidenespiro[4.4]non-2-ene-4,8-dione has a molecular weight of 222.24 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-9-methylidenespiro[4.4]non-2-ene-4,8-dione is sourced from PubChem (CID 11138700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).