(12Z)-1,4,7,10-tetraoxacyclotetradec-12-ene-5,6-dicarboxylic acid

C12H18O8 — CID 59920283

IUPAC(12Z)-1,4,7,10-tetraoxacyclotetradec-12-ene-5,6-dicarboxylic acid
SMILESO=C(O)C1OCCOC/C=C\COCCOC1C(=O)O
InChIInChI=1S/C12H18O8/c13-11(14)9-10(12(15)16)20-8-6-18-4-2-1-3-17-5-7-19-9/h1-2,9-10H,3-8H2,(H,13,14)(H,15,16)/b2-1-
InChIKeyQABPCZHLQLVAHC-UPHRSURJSA-N
MW290.27 g/mol
LogP-0.47
Rot. Bonds2

About (12Z)-1,4,7,10-tetraoxacyclotetradec-12-ene-5,6-dicarboxylic acid

(12Z)-1,4,7,10-tetraoxacyclotetradec-12-ene-5,6-dicarboxylic acid (PubChem CID 59920283) has the molecular formula C12H18O8 and a molecular weight of 290.27 g/mol. Its IUPAC name is (12Z)-1,4,7,10-tetraoxacyclotetradec-12-ene-5,6-dicarboxylic acid.

Molecular Properties

Compound Name(12Z)-1,4,7,10-tetraoxacyclotetradec-12-ene-5,6-dicarboxylic acid
PubChem CID59920283
Molecular FormulaC12H18O8
Molecular Weight290.27 g/mol
Exact Mass290.10
IUPAC Name(12Z)-1,4,7,10-tetraoxacyclotetradec-12-ene-5,6-dicarboxylic acid
SMILESO=C(O)C1OCCOC/C=C\COCCOC1C(=O)O
InChIInChI=1S/C12H18O8/c13-11(14)9-10(12(15)16)20-8-6-18-4-2-1-3-17-5-7-19-9/h1-2,9-10H,3-8H2,(H,13,14)(H,15,16)/b2-1-
InChIKeyQABPCZHLQLVAHC-UPHRSURJSA-N
XLogP-0.47
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 (12Z)-1,4,7,10-tetraoxacyclotetradec-12-ene-5,6-dicarboxylic acid?
The IUPAC name of (12Z)-1,4,7,10-tetraoxacyclotetradec-12-ene-5,6-dicarboxylic acid (CID 59920283) is (12Z)-1,4,7,10-tetraoxacyclotetradec-12-ene-5,6-dicarboxylic acid.
What is the SMILES notation for (12Z)-1,4,7,10-tetraoxacyclotetradec-12-ene-5,6-dicarboxylic acid?
The canonical SMILES for (12Z)-1,4,7,10-tetraoxacyclotetradec-12-ene-5,6-dicarboxylic acid is O=C(O)C1OCCOC/C=C\COCCOC1C(=O)O.
What is the InChIKey of (12Z)-1,4,7,10-tetraoxacyclotetradec-12-ene-5,6-dicarboxylic acid?
The InChIKey is QABPCZHLQLVAHC-UPHRSURJSA-N. The full InChI is InChI=1S/C12H18O8/c13-11(14)9-10(12(15)16)20-8-6-18-4-2-1-3-17-5-7-19-9/h1-2,9-10H,3-8H2,(H,13,14)(H,15,16)/b2-1-.
What are the key properties of (12Z)-1,4,7,10-tetraoxacyclotetradec-12-ene-5,6-dicarboxylic acid?
(12Z)-1,4,7,10-tetraoxacyclotetradec-12-ene-5,6-dicarboxylic acid has a molecular weight of 290.27 g/mol, XLogP of -0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (12Z)-1,4,7,10-tetraoxacyclotetradec-12-ene-5,6-dicarboxylic acid is sourced from PubChem (CID 59920283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).