[2-(cyclopropanecarbonyloxy)-4,5-diformyloxyphenyl] cyclopropanecarboxylate

C16H14O8 — CID 91135350

IUPAC[2-(cyclopropanecarbonyloxy)-4,5-diformyloxyphenyl] cyclopropanecarboxylate
SMILESO=COc1cc(OC(=O)C2CC2)c(OC(=O)C2CC2)cc1OC=O
InChIInChI=1S/C16H14O8/c17-7-21-11-5-13(23-15(19)9-1-2-9)14(6-12(11)22-8-18)24-16(20)10-3-4-10/h5-10H,1-4H2
InChIKeyINAKZBHYEABMIT-UHFFFAOYSA-N
MW334.28 g/mol
LogP1.39
Rot. Bonds8

About [2-(cyclopropanecarbonyloxy)-4,5-diformyloxyphenyl] cyclopropanecarboxylate

[2-(cyclopropanecarbonyloxy)-4,5-diformyloxyphenyl] cyclopropanecarboxylate (PubChem CID 91135350) has the molecular formula C16H14O8 and a molecular weight of 334.28 g/mol. Its IUPAC name is [2-(cyclopropanecarbonyloxy)-4,5-diformyloxyphenyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[2-(cyclopropanecarbonyloxy)-4,5-diformyloxyphenyl] cyclopropanecarboxylate
PubChem CID91135350
Molecular FormulaC16H14O8
Molecular Weight334.28 g/mol
Exact Mass334.07
IUPAC Name[2-(cyclopropanecarbonyloxy)-4,5-diformyloxyphenyl] cyclopropanecarboxylate
SMILESO=COc1cc(OC(=O)C2CC2)c(OC(=O)C2CC2)cc1OC=O
InChIInChI=1S/C16H14O8/c17-7-21-11-5-13(23-15(19)9-1-2-9)14(6-12(11)22-8-18)24-16(20)10-3-4-10/h5-10H,1-4H2
InChIKeyINAKZBHYEABMIT-UHFFFAOYSA-N
XLogP1.39
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.28
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[2,3-bis(cyclopentanecarbonyloxy)-4-formyloxyphenyl] cyclopentanecarboxylate
CID 23158870
(3,4,5-triformyloxyphenyl) cyclohexanecarboxylate
CID 91583942
(2,4,5-triformyloxyphenyl) propanoate
CID 91451612
(3,5-diformyloxyphenyl) cyclopentanecarboxylate
CID 91352190
(2,4,5-trichlorophenyl) cyclopropanecarboxylate
CID 91694706
(2-hydroxyphenyl) cyclopropanecarboxylate
CID 91694694
3-bromo-4-(cyclopropanecarbonyloxy)benzoic acid
CID 54854518
(2,4-dibromophenyl) cyclopropanecarboxylate
CID 836257
4-O-(4-formyloxy-2-methanimidoylphenyl) 1-O-(4-prop-2-enoyloxyphenyl) cyclohexane-1,4-dicarboxylate
CID 145312760
(5-ethyl-2-methoxyphenyl) cyclopropanecarboxylate
CID 175074600
(2-phenylphenyl) cyclopropanecarboxylate
CID 91695306
[2-(2-formylbenzoyl)phenyl] cyclopropanecarboxylate
CID 123439268

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropanecarbonyloxy)-4,5-diformyloxyphenyl] cyclopropanecarboxylate?
The IUPAC name of [2-(cyclopropanecarbonyloxy)-4,5-diformyloxyphenyl] cyclopropanecarboxylate (CID 91135350) is [2-(cyclopropanecarbonyloxy)-4,5-diformyloxyphenyl] cyclopropanecarboxylate.
What is the SMILES notation for [2-(cyclopropanecarbonyloxy)-4,5-diformyloxyphenyl] cyclopropanecarboxylate?
The canonical SMILES for [2-(cyclopropanecarbonyloxy)-4,5-diformyloxyphenyl] cyclopropanecarboxylate is O=COc1cc(OC(=O)C2CC2)c(OC(=O)C2CC2)cc1OC=O.
What is the InChIKey of [2-(cyclopropanecarbonyloxy)-4,5-diformyloxyphenyl] cyclopropanecarboxylate?
The InChIKey is INAKZBHYEABMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O8/c17-7-21-11-5-13(23-15(19)9-1-2-9)14(6-12(11)22-8-18)24-16(20)10-3-4-10/h5-10H,1-4H2.
What are the key properties of [2-(cyclopropanecarbonyloxy)-4,5-diformyloxyphenyl] cyclopropanecarboxylate?
[2-(cyclopropanecarbonyloxy)-4,5-diformyloxyphenyl] cyclopropanecarboxylate has a molecular weight of 334.28 g/mol, XLogP of 1.39, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropanecarbonyloxy)-4,5-diformyloxyphenyl] cyclopropanecarboxylate is sourced from PubChem (CID 91135350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).