[4-(1,3-dioxo-2-benzofuran-5-carbonyl)oxycyclohexyl] 1,3-dioxo-2-benzofuran-5-carboxylate

C24H16O10 — CID 144631712

IUPAC[4-(1,3-dioxo-2-benzofuran-5-carbonyl)oxycyclohexyl] 1,3-dioxo-2-benzofuran-5-carboxylate
SMILESO=C(OC1CCC(OC(=O)c2ccc3c(c2)C(=O)OC3=O)CC1)c1ccc2c(c1)C(=O)OC2=O
InChIInChI=1S/C24H16O10/c25-19(11-1-7-15-17(9-11)23(29)33-21(15)27)31-13-3-5-14(6-4-13)32-20(26)12-2-8-16-18(10-12)24(30)34-22(16)28/h1-2,7-10,13-14H,3-6H2
InChIKeyWJXHNFGMGOXZGP-UHFFFAOYSA-N
MW464.38 g/mol
LogP2.63
Rot. Bonds4

About [4-(1,3-dioxo-2-benzofuran-5-carbonyl)oxycyclohexyl] 1,3-dioxo-2-benzofuran-5-carboxylate

[4-(1,3-dioxo-2-benzofuran-5-carbonyl)oxycyclohexyl] 1,3-dioxo-2-benzofuran-5-carboxylate (PubChem CID 144631712) has the molecular formula C24H16O10 and a molecular weight of 464.38 g/mol. Its IUPAC name is [4-(1,3-dioxo-2-benzofuran-5-carbonyl)oxycyclohexyl] 1,3-dioxo-2-benzofuran-5-carboxylate.

Molecular Properties

Compound Name[4-(1,3-dioxo-2-benzofuran-5-carbonyl)oxycyclohexyl] 1,3-dioxo-2-benzofuran-5-carboxylate
PubChem CID144631712
Molecular FormulaC24H16O10
Molecular Weight464.38 g/mol
Exact Mass464.07
IUPAC Name[4-(1,3-dioxo-2-benzofuran-5-carbonyl)oxycyclohexyl] 1,3-dioxo-2-benzofuran-5-carboxylate
SMILESO=C(OC1CCC(OC(=O)c2ccc3c(c2)C(=O)OC3=O)CC1)c1ccc2c(c1)C(=O)OC2=O
InChIInChI=1S/C24H16O10/c25-19(11-1-7-15-17(9-11)23(29)33-21(15)27)31-13-3-5-14(6-4-13)32-20(26)12-2-8-16-18(10-12)24(30)34-22(16)28/h1-2,7-10,13-14H,3-6H2
InChIKeyWJXHNFGMGOXZGP-UHFFFAOYSA-N
XLogP2.63
TPSA139.34 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.38
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze [4-(1,3-dioxo-2-benzofuran-5-carbonyl)oxycyclohexyl] 1,3-dioxo-2-benzofuran-5-carboxylate with MolForge

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Related Compounds

[4-[4-(1,3-dioxo-2-benzofuran-5-carbonyl)oxycyclohexyl]cyclohexyl] 1,3-dioxo-2-benzofuran-5-carboxylate
CID 178030655
[2-(1,3-dioxo-2-benzofuran-5-carbonyl)oxycyclobutyl] 1,3-dioxo-2-benzofuran-5-carboxylate
CID 87175126
5-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoacetyl]-2-benzofuran-1,3-dione
CID 118399224
[(1,3-dioxo-2-benzofuran-5-carbonyl)oxy-iodoalumanyl] 1,3-dioxo-2-benzofuran-5-carboxylate
CID 163483270
[4-(1,3-dioxo-2-benzofuran-5-carbonyl)oxy-2,3,5,6-tetrafluorophenyl] 1,3-dioxo-2-benzofuran-5-carboxylate
CID 166171269
potassium bis(1,3-dioxo-2-benzofuran-5-carboxylate)
CID 59303424
6-(1,3-dioxo-2-benzofuran-5-carbonyl)oxyhexanoic acid
CID 59221267
(1,3-dioxo-2-benzofuran-5-carbonyl)oxymethyl 1-methylidene-3-oxo-2-benzofuran-5-carboxylate
CID 118545018
CID 174076604
CID 174076604
2-(1,3-dioxo-2-benzofuran-5-carbonyl)oxyethyl 3-methylidene-1-oxo-2-benzofuran-5-carboxylate
CID 146653316
[4-(1,3-dioxo-2-benzofuran-5-carbonyl)oxyphenyl] 3-methylidene-1-oxo-2-benzofuran-5-carboxylate
CID 89404579
ethane;(4-hydroxyphenyl) 1,3-dioxo-2-benzofuran-5-carboxylate
CID 91132241

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-dioxo-2-benzofuran-5-carbonyl)oxycyclohexyl] 1,3-dioxo-2-benzofuran-5-carboxylate?
The IUPAC name of [4-(1,3-dioxo-2-benzofuran-5-carbonyl)oxycyclohexyl] 1,3-dioxo-2-benzofuran-5-carboxylate (CID 144631712) is [4-(1,3-dioxo-2-benzofuran-5-carbonyl)oxycyclohexyl] 1,3-dioxo-2-benzofuran-5-carboxylate.
What is the SMILES notation for [4-(1,3-dioxo-2-benzofuran-5-carbonyl)oxycyclohexyl] 1,3-dioxo-2-benzofuran-5-carboxylate?
The canonical SMILES for [4-(1,3-dioxo-2-benzofuran-5-carbonyl)oxycyclohexyl] 1,3-dioxo-2-benzofuran-5-carboxylate is O=C(OC1CCC(OC(=O)c2ccc3c(c2)C(=O)OC3=O)CC1)c1ccc2c(c1)C(=O)OC2=O.
What is the InChIKey of [4-(1,3-dioxo-2-benzofuran-5-carbonyl)oxycyclohexyl] 1,3-dioxo-2-benzofuran-5-carboxylate?
The InChIKey is WJXHNFGMGOXZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16O10/c25-19(11-1-7-15-17(9-11)23(29)33-21(15)27)31-13-3-5-14(6-4-13)32-20(26)12-2-8-16-18(10-12)24(30)34-22(16)28/h1-2,7-10,13-14H,3-6H2.
What are the key properties of [4-(1,3-dioxo-2-benzofuran-5-carbonyl)oxycyclohexyl] 1,3-dioxo-2-benzofuran-5-carboxylate?
[4-(1,3-dioxo-2-benzofuran-5-carbonyl)oxycyclohexyl] 1,3-dioxo-2-benzofuran-5-carboxylate has a molecular weight of 464.38 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-dioxo-2-benzofuran-5-carbonyl)oxycyclohexyl] 1,3-dioxo-2-benzofuran-5-carboxylate is sourced from PubChem (CID 144631712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).