bis(2-methoxyethyl) cyclohexane-1,2-dicarboxylate

C14H24O6 — CID 67924647

IUPACbis(2-methoxyethyl) cyclohexane-1,2-dicarboxylate
SMILESCOCCOC(=O)C1CCCCC1C(=O)OCCOC
InChIInChI=1S/C14H24O6/c1-17-7-9-19-13(15)11-5-3-4-6-12(11)14(16)20-10-8-18-2/h11-12H,3-10H2,1-2H3
InChIKeyCGWHCRMJEMRSKU-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.17
Rot. Bonds8

About bis(2-methoxyethyl) cyclohexane-1,2-dicarboxylate

bis(2-methoxyethyl) cyclohexane-1,2-dicarboxylate (PubChem CID 67924647) has the molecular formula C14H24O6 and a molecular weight of 288.34 g/mol. Its IUPAC name is bis(2-methoxyethyl) cyclohexane-1,2-dicarboxylate.

Molecular Properties

Compound Namebis(2-methoxyethyl) cyclohexane-1,2-dicarboxylate
PubChem CID67924647
Molecular FormulaC14H24O6
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Namebis(2-methoxyethyl) cyclohexane-1,2-dicarboxylate
SMILESCOCCOC(=O)C1CCCCC1C(=O)OCCOC
InChIInChI=1S/C14H24O6/c1-17-7-9-19-13(15)11-5-3-4-6-12(11)14(16)20-10-8-18-2/h11-12H,3-10H2,1-2H3
InChIKeyCGWHCRMJEMRSKU-UHFFFAOYSA-N
XLogP1.17
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2-methoxyethyl) cyclohexane-1,2-dicarboxylate?
The IUPAC name of bis(2-methoxyethyl) cyclohexane-1,2-dicarboxylate (CID 67924647) is bis(2-methoxyethyl) cyclohexane-1,2-dicarboxylate.
What is the SMILES notation for bis(2-methoxyethyl) cyclohexane-1,2-dicarboxylate?
The canonical SMILES for bis(2-methoxyethyl) cyclohexane-1,2-dicarboxylate is COCCOC(=O)C1CCCCC1C(=O)OCCOC.
What is the InChIKey of bis(2-methoxyethyl) cyclohexane-1,2-dicarboxylate?
The InChIKey is CGWHCRMJEMRSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O6/c1-17-7-9-19-13(15)11-5-3-4-6-12(11)14(16)20-10-8-18-2/h11-12H,3-10H2,1-2H3.
What are the key properties of bis(2-methoxyethyl) cyclohexane-1,2-dicarboxylate?
bis(2-methoxyethyl) cyclohexane-1,2-dicarboxylate has a molecular weight of 288.34 g/mol, XLogP of 1.17, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methoxyethyl) cyclohexane-1,2-dicarboxylate is sourced from PubChem (CID 67924647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).