(4E)-6-carboxyoxycyclooct-4-ene-1-carboxylic acid

C10H14O5 — CID 90182588

IUPAC(4E)-6-carboxyoxycyclooct-4-ene-1-carboxylic acid
SMILESO=C(O)OC1/C=C\CCC(C(=O)O)CC1
InChIInChI=1S/C10H14O5/c11-9(12)7-3-1-2-4-8(6-5-7)15-10(13)14/h2,4,7-8H,1,3,5-6H2,(H,11,12)(H,13,14)/b4-2-
InChIKeyRAJCEJJQTBMJQF-RQOWECAXSA-N
MW214.22 g/mol
LogP1.88
Rot. Bonds2

About (4E)-6-carboxyoxycyclooct-4-ene-1-carboxylic acid

(4E)-6-carboxyoxycyclooct-4-ene-1-carboxylic acid (PubChem CID 90182588) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is (4E)-6-carboxyoxycyclooct-4-ene-1-carboxylic acid.

Molecular Properties

Compound Name(4E)-6-carboxyoxycyclooct-4-ene-1-carboxylic acid
PubChem CID90182588
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name(4E)-6-carboxyoxycyclooct-4-ene-1-carboxylic acid
SMILESO=C(O)OC1/C=C\CCC(C(=O)O)CC1
InChIInChI=1S/C10H14O5/c11-9(12)7-3-1-2-4-8(6-5-7)15-10(13)14/h2,4,7-8H,1,3,5-6H2,(H,11,12)(H,13,14)/b4-2-
InChIKeyRAJCEJJQTBMJQF-RQOWECAXSA-N
XLogP1.88
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E)-6-carboxyoxycyclooct-4-ene-1-carboxylic acid?
The IUPAC name of (4E)-6-carboxyoxycyclooct-4-ene-1-carboxylic acid (CID 90182588) is (4E)-6-carboxyoxycyclooct-4-ene-1-carboxylic acid.
What is the SMILES notation for (4E)-6-carboxyoxycyclooct-4-ene-1-carboxylic acid?
The canonical SMILES for (4E)-6-carboxyoxycyclooct-4-ene-1-carboxylic acid is O=C(O)OC1/C=C\CCC(C(=O)O)CC1.
What is the InChIKey of (4E)-6-carboxyoxycyclooct-4-ene-1-carboxylic acid?
The InChIKey is RAJCEJJQTBMJQF-RQOWECAXSA-N. The full InChI is InChI=1S/C10H14O5/c11-9(12)7-3-1-2-4-8(6-5-7)15-10(13)14/h2,4,7-8H,1,3,5-6H2,(H,11,12)(H,13,14)/b4-2-.
What are the key properties of (4E)-6-carboxyoxycyclooct-4-ene-1-carboxylic acid?
(4E)-6-carboxyoxycyclooct-4-ene-1-carboxylic acid has a molecular weight of 214.22 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-6-carboxyoxycyclooct-4-ene-1-carboxylic acid is sourced from PubChem (CID 90182588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).