(9E)-2,3-dimethoxy-9-(methoxymethylidene)spiro[4.4]non-2-ene-1,4-dione

C13H16O5 — CID 10956030

IUPAC(9E)-2,3-dimethoxy-9-(methoxymethylidene)spiro[4.4]non-2-ene-1,4-dione
SMILESCO/C=C1\CCCC12C(=O)C(OC)=C(OC)C2=O
InChIInChI=1S/C13H16O5/c1-16-7-8-5-4-6-13(8)11(14)9(17-2)10(18-3)12(13)15/h7H,4-6H2,1-3H3/b8-7+
InChIKeyRWUZMLLXSPTLPD-BQYQJAHWSA-N
MW252.27 g/mol
LogP1.34
Rot. Bonds3

About (9E)-2,3-dimethoxy-9-(methoxymethylidene)spiro[4.4]non-2-ene-1,4-dione

(9E)-2,3-dimethoxy-9-(methoxymethylidene)spiro[4.4]non-2-ene-1,4-dione (PubChem CID 10956030) has the molecular formula C13H16O5 and a molecular weight of 252.27 g/mol. Its IUPAC name is (9E)-2,3-dimethoxy-9-(methoxymethylidene)spiro[4.4]non-2-ene-1,4-dione.

Molecular Properties

Compound Name(9E)-2,3-dimethoxy-9-(methoxymethylidene)spiro[4.4]non-2-ene-1,4-dione
PubChem CID10956030
Molecular FormulaC13H16O5
Molecular Weight252.27 g/mol
Exact Mass252.10
IUPAC Name(9E)-2,3-dimethoxy-9-(methoxymethylidene)spiro[4.4]non-2-ene-1,4-dione
SMILESCO/C=C1\CCCC12C(=O)C(OC)=C(OC)C2=O
InChIInChI=1S/C13H16O5/c1-16-7-8-5-4-6-13(8)11(14)9(17-2)10(18-3)12(13)15/h7H,4-6H2,1-3H3/b8-7+
InChIKeyRWUZMLLXSPTLPD-BQYQJAHWSA-N
XLogP1.34
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-2-methoxyhex-2-en-3-yl]-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione
CID 10471502
2-[(Z)-2-methoxyhex-2-en-3-yl]-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione
CID 9996376
2,3-Dimethoxy-9-methylidenespiro[4.4]non-2-ene-4,8-dione
CID 11138700
2,3-Dimethoxy-9-methylidenespiro[4.4]non-2-en-4-one
CID 121014676
2,3-Dimethoxy-9-(methoxymethyl)spiro[4.4]nona-2,8-dien-4-one
CID 11053698
(9E)-2,3-dimethoxy-9-(methoxymethylidene)spiro[4.4]non-2-en-4-one
CID 11746678
3-Hydroxy-2-methoxy-9-methylidenespiro[4.4]non-2-en-4-one
CID 16663585
2,3,10-Trimethoxyspiro[4.5]deca-2,9-diene-1,4-dione
CID 86101275
(5R)-2,3-dimethoxy-9-methylidenespiro[4.4]non-2-en-4-one
CID 102086927

Frequently Asked Questions

What is the IUPAC name of (9E)-2,3-dimethoxy-9-(methoxymethylidene)spiro[4.4]non-2-ene-1,4-dione?
The IUPAC name of (9E)-2,3-dimethoxy-9-(methoxymethylidene)spiro[4.4]non-2-ene-1,4-dione (CID 10956030) is (9E)-2,3-dimethoxy-9-(methoxymethylidene)spiro[4.4]non-2-ene-1,4-dione.
What is the SMILES notation for (9E)-2,3-dimethoxy-9-(methoxymethylidene)spiro[4.4]non-2-ene-1,4-dione?
The canonical SMILES for (9E)-2,3-dimethoxy-9-(methoxymethylidene)spiro[4.4]non-2-ene-1,4-dione is CO/C=C1\CCCC12C(=O)C(OC)=C(OC)C2=O.
What is the InChIKey of (9E)-2,3-dimethoxy-9-(methoxymethylidene)spiro[4.4]non-2-ene-1,4-dione?
The InChIKey is RWUZMLLXSPTLPD-BQYQJAHWSA-N. The full InChI is InChI=1S/C13H16O5/c1-16-7-8-5-4-6-13(8)11(14)9(17-2)10(18-3)12(13)15/h7H,4-6H2,1-3H3/b8-7+.
What are the key properties of (9E)-2,3-dimethoxy-9-(methoxymethylidene)spiro[4.4]non-2-ene-1,4-dione?
(9E)-2,3-dimethoxy-9-(methoxymethylidene)spiro[4.4]non-2-ene-1,4-dione has a molecular weight of 252.27 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9E)-2,3-dimethoxy-9-(methoxymethylidene)spiro[4.4]non-2-ene-1,4-dione is sourced from PubChem (CID 10956030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).