2,3,10-trimethoxyspiro[4.5]deca-2,9-diene-1,4-dione

C13H16O5 — CID 86101275

IUPAC2,3,10-trimethoxyspiro[4.5]deca-2,9-diene-1,4-dione
SMILESCOC1=CCCCC12C(=O)C(OC)=C(OC)C2=O
InChIInChI=1S/C13H16O5/c1-16-8-6-4-5-7-13(8)11(14)9(17-2)10(18-3)12(13)15/h6H,4-5,7H2,1-3H3
InChIKeyDPZNBGVTXLXDOA-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.34
Rot. Bonds3

About 2,3,10-trimethoxyspiro[4.5]deca-2,9-diene-1,4-dione

2,3,10-trimethoxyspiro[4.5]deca-2,9-diene-1,4-dione (PubChem CID 86101275) has the molecular formula C13H16O5 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2,3,10-trimethoxyspiro[4.5]deca-2,9-diene-1,4-dione.

Molecular Properties

Compound Name2,3,10-trimethoxyspiro[4.5]deca-2,9-diene-1,4-dione
PubChem CID86101275
Molecular FormulaC13H16O5
Molecular Weight252.27 g/mol
Exact Mass252.10
IUPAC Name2,3,10-trimethoxyspiro[4.5]deca-2,9-diene-1,4-dione
SMILESCOC1=CCCCC12C(=O)C(OC)=C(OC)C2=O
InChIInChI=1S/C13H16O5/c1-16-8-6-4-5-7-13(8)11(14)9(17-2)10(18-3)12(13)15/h6H,4-5,7H2,1-3H3
InChIKeyDPZNBGVTXLXDOA-UHFFFAOYSA-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': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2,3,10-trimethoxyspiro[4.5]deca-2,9-diene-1,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(9E)-2,3-dimethoxy-9-(methoxymethylidene)spiro[4.4]non-2-ene-1,4-dione
CID 10956030
9-Tert-butyl-2,3,10-trimethoxyspiro[4.5]deca-2,9-diene-1,4-dione
CID 102153603
(6R)-2,3,10-trimethoxy-6-methyl-9-propan-2-ylspiro[4.5]deca-2,9-diene-1,4-dione
CID 102153607
(6S)-2,3,10-trimethoxy-6-methyl-9-propan-2-ylspiro[4.5]deca-2,9-diene-1,4-dione
CID 102153608

Frequently Asked Questions

What is the IUPAC name of 2,3,10-trimethoxyspiro[4.5]deca-2,9-diene-1,4-dione?
The IUPAC name of 2,3,10-trimethoxyspiro[4.5]deca-2,9-diene-1,4-dione (CID 86101275) is 2,3,10-trimethoxyspiro[4.5]deca-2,9-diene-1,4-dione.
What is the SMILES notation for 2,3,10-trimethoxyspiro[4.5]deca-2,9-diene-1,4-dione?
The canonical SMILES for 2,3,10-trimethoxyspiro[4.5]deca-2,9-diene-1,4-dione is COC1=CCCCC12C(=O)C(OC)=C(OC)C2=O.
What is the InChIKey of 2,3,10-trimethoxyspiro[4.5]deca-2,9-diene-1,4-dione?
The InChIKey is DPZNBGVTXLXDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O5/c1-16-8-6-4-5-7-13(8)11(14)9(17-2)10(18-3)12(13)15/h6H,4-5,7H2,1-3H3.
What are the key properties of 2,3,10-trimethoxyspiro[4.5]deca-2,9-diene-1,4-dione?
2,3,10-trimethoxyspiro[4.5]deca-2,9-diene-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 2,3,10-trimethoxyspiro[4.5]deca-2,9-diene-1,4-dione is sourced from PubChem (CID 86101275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).