methyl 7-formyl-10,10-dimethyl-1,3-dioxofuro[3,4-b]xanthene-8-carboxylate

C20H14O7 — CID 144649891

IUPACmethyl 7-formyl-10,10-dimethyl-1,3-dioxofuro[3,4-b]xanthene-8-carboxylate
SMILESCOC(=O)c1cc2c(cc1C=O)Oc1cc3c(cc1C2(C)C)C(=O)OC3=O
InChIInChI=1S/C20H14O7/c1-20(2)13-5-10(17(22)25-3)9(8-21)4-15(13)26-16-7-12-11(6-14(16)20)18(23)27-19(12)24/h4-8H,1-3H3
InChIKeySCIRPXQJNDYTMC-UHFFFAOYSA-N
MW366.33 g/mol
LogP3.03
Rot. Bonds2

About methyl 7-formyl-10,10-dimethyl-1,3-dioxofuro[3,4-b]xanthene-8-carboxylate

methyl 7-formyl-10,10-dimethyl-1,3-dioxofuro[3,4-b]xanthene-8-carboxylate (PubChem CID 144649891) has the molecular formula C20H14O7 and a molecular weight of 366.33 g/mol. Its IUPAC name is methyl 7-formyl-10,10-dimethyl-1,3-dioxofuro[3,4-b]xanthene-8-carboxylate.

Molecular Properties

Compound Namemethyl 7-formyl-10,10-dimethyl-1,3-dioxofuro[3,4-b]xanthene-8-carboxylate
PubChem CID144649891
Molecular FormulaC20H14O7
Molecular Weight366.33 g/mol
Exact Mass366.07
IUPAC Namemethyl 7-formyl-10,10-dimethyl-1,3-dioxofuro[3,4-b]xanthene-8-carboxylate
SMILESCOC(=O)c1cc2c(cc1C=O)Oc1cc3c(cc1C2(C)C)C(=O)OC3=O
InChIInChI=1S/C20H14O7/c1-20(2)13-5-10(17(22)25-3)9(8-21)4-15(13)26-16-7-12-11(6-14(16)20)18(23)27-19(12)24/h4-8H,1-3H3
InChIKeySCIRPXQJNDYTMC-UHFFFAOYSA-N
XLogP3.03
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.33
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 7-formyl-10,10-dimethyl-1,3-dioxofuro[3,4-b]xanthene-8-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 7-formyl-10,10-dimethyl-1,3-dioxofuro[3,4-b]xanthene-8-carboxylate?
The IUPAC name of methyl 7-formyl-10,10-dimethyl-1,3-dioxofuro[3,4-b]xanthene-8-carboxylate (CID 144649891) is methyl 7-formyl-10,10-dimethyl-1,3-dioxofuro[3,4-b]xanthene-8-carboxylate.
What is the SMILES notation for methyl 7-formyl-10,10-dimethyl-1,3-dioxofuro[3,4-b]xanthene-8-carboxylate?
The canonical SMILES for methyl 7-formyl-10,10-dimethyl-1,3-dioxofuro[3,4-b]xanthene-8-carboxylate is COC(=O)c1cc2c(cc1C=O)Oc1cc3c(cc1C2(C)C)C(=O)OC3=O.
What is the InChIKey of methyl 7-formyl-10,10-dimethyl-1,3-dioxofuro[3,4-b]xanthene-8-carboxylate?
The InChIKey is SCIRPXQJNDYTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O7/c1-20(2)13-5-10(17(22)25-3)9(8-21)4-15(13)26-16-7-12-11(6-14(16)20)18(23)27-19(12)24/h4-8H,1-3H3.
What are the key properties of methyl 7-formyl-10,10-dimethyl-1,3-dioxofuro[3,4-b]xanthene-8-carboxylate?
methyl 7-formyl-10,10-dimethyl-1,3-dioxofuro[3,4-b]xanthene-8-carboxylate has a molecular weight of 366.33 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-formyl-10,10-dimethyl-1,3-dioxofuro[3,4-b]xanthene-8-carboxylate is sourced from PubChem (CID 144649891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).