(3,5-diformyloxyphenyl) cyclopentanecarboxylate

C14H14O6 — CID 91352190

IUPAC(3,5-diformyloxyphenyl) cyclopentanecarboxylate
SMILESO=COc1cc(OC=O)cc(OC(=O)C2CCCC2)c1
InChIInChI=1S/C14H14O6/c15-8-18-11-5-12(19-9-16)7-13(6-11)20-14(17)10-3-1-2-4-10/h5-10H,1-4H2
InChIKeyRIHFDCUHMXQNHJ-UHFFFAOYSA-N
MW278.26 g/mol
LogP1.85
Rot. Bonds6

About (3,5-diformyloxyphenyl) cyclopentanecarboxylate

(3,5-diformyloxyphenyl) cyclopentanecarboxylate (PubChem CID 91352190) has the molecular formula C14H14O6 and a molecular weight of 278.26 g/mol. Its IUPAC name is (3,5-diformyloxyphenyl) cyclopentanecarboxylate.

Molecular Properties

Compound Name(3,5-diformyloxyphenyl) cyclopentanecarboxylate
PubChem CID91352190
Molecular FormulaC14H14O6
Molecular Weight278.26 g/mol
Exact Mass278.08
IUPAC Name(3,5-diformyloxyphenyl) cyclopentanecarboxylate
SMILESO=COc1cc(OC=O)cc(OC(=O)C2CCCC2)c1
InChIInChI=1S/C14H14O6/c15-8-18-11-5-12(19-9-16)7-13(6-11)20-14(17)10-3-1-2-4-10/h5-10H,1-4H2
InChIKeyRIHFDCUHMXQNHJ-UHFFFAOYSA-N
XLogP1.85
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3,5-diformyloxyphenyl) cyclopentanecarboxylate?
The IUPAC name of (3,5-diformyloxyphenyl) cyclopentanecarboxylate (CID 91352190) is (3,5-diformyloxyphenyl) cyclopentanecarboxylate.
What is the SMILES notation for (3,5-diformyloxyphenyl) cyclopentanecarboxylate?
The canonical SMILES for (3,5-diformyloxyphenyl) cyclopentanecarboxylate is O=COc1cc(OC=O)cc(OC(=O)C2CCCC2)c1.
What is the InChIKey of (3,5-diformyloxyphenyl) cyclopentanecarboxylate?
The InChIKey is RIHFDCUHMXQNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O6/c15-8-18-11-5-12(19-9-16)7-13(6-11)20-14(17)10-3-1-2-4-10/h5-10H,1-4H2.
What are the key properties of (3,5-diformyloxyphenyl) cyclopentanecarboxylate?
(3,5-diformyloxyphenyl) cyclopentanecarboxylate has a molecular weight of 278.26 g/mol, XLogP of 1.85, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-diformyloxyphenyl) cyclopentanecarboxylate is sourced from PubChem (CID 91352190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).