bis(2-phenoxyethyl) cyclohexane-1,4-dicarboxylate

C24H28O6 — CID 71382770

IUPACbis(2-phenoxyethyl) cyclohexane-1,4-dicarboxylate
SMILESO=C(OCCOc1ccccc1)C1CCC(C(=O)OCCOc2ccccc2)CC1
InChIInChI=1S/C24H28O6/c25-23(29-17-15-27-21-7-3-1-4-8-21)19-11-13-20(14-12-19)24(26)30-18-16-28-22-9-5-2-6-10-22/h1-10,19-20H,11-18H2
InChIKeyVJHDJNDGCALAJO-UHFFFAOYSA-N
MW412.48 g/mol
LogP4.04
Rot. Bonds10

About bis(2-phenoxyethyl) cyclohexane-1,4-dicarboxylate

bis(2-phenoxyethyl) cyclohexane-1,4-dicarboxylate (PubChem CID 71382770) has the molecular formula C24H28O6 and a molecular weight of 412.48 g/mol. Its IUPAC name is bis(2-phenoxyethyl) cyclohexane-1,4-dicarboxylate.

Molecular Properties

Compound Namebis(2-phenoxyethyl) cyclohexane-1,4-dicarboxylate
PubChem CID71382770
Molecular FormulaC24H28O6
Molecular Weight412.48 g/mol
Exact Mass412.19
IUPAC Namebis(2-phenoxyethyl) cyclohexane-1,4-dicarboxylate
SMILESO=C(OCCOc1ccccc1)C1CCC(C(=O)OCCOc2ccccc2)CC1
InChIInChI=1S/C24H28O6/c25-23(29-17-15-27-21-7-3-1-4-8-21)19-11-13-20(14-12-19)24(26)30-18-16-28-22-9-5-2-6-10-22/h1-10,19-20H,11-18H2
InChIKeyVJHDJNDGCALAJO-UHFFFAOYSA-N
XLogP4.04
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 54.04
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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Related Compounds

2-phenoxyethyl 1-methylpiperidine-4-carboxylate
CID 121413233
3-(3-phenoxyphenoxy)propyl cyclopropanecarboxylate
CID 70637741
N-(2-phenoxyethoxy)cyclopropanecarboxamide
CID 110294647
2-phenoxyethyl 2-aminocyclohexane-1-carboxylate
CID 64818428
bis(3-phenylpropyl) cyclohexane-1,4-dicarboxylate
CID 71382772
2-phenoxyethyl pyrrolidine-2-carboxylate
CID 61302272
2-phenylmethoxyethyl cyclopropanecarboxylate
CID 21489661
2-phenoxyethyl (2R)-piperidine-2-carboxylate
CID 79034822
2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]cyclohexane-1-carboxylic acid
CID 154604117
2-phenoxyethyl 2,3-dihydro-1H-indole-2-carboxylate
CID 61302855
1-cyclopropyl-6-phenoxyhexan-1-one
CID 64505245
2-phenoxyethyl 2-aminoacetate
CID 61302270

Frequently Asked Questions

What is the IUPAC name of bis(2-phenoxyethyl) cyclohexane-1,4-dicarboxylate?
The IUPAC name of bis(2-phenoxyethyl) cyclohexane-1,4-dicarboxylate (CID 71382770) is bis(2-phenoxyethyl) cyclohexane-1,4-dicarboxylate.
What is the SMILES notation for bis(2-phenoxyethyl) cyclohexane-1,4-dicarboxylate?
The canonical SMILES for bis(2-phenoxyethyl) cyclohexane-1,4-dicarboxylate is O=C(OCCOc1ccccc1)C1CCC(C(=O)OCCOc2ccccc2)CC1.
What is the InChIKey of bis(2-phenoxyethyl) cyclohexane-1,4-dicarboxylate?
The InChIKey is VJHDJNDGCALAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O6/c25-23(29-17-15-27-21-7-3-1-4-8-21)19-11-13-20(14-12-19)24(26)30-18-16-28-22-9-5-2-6-10-22/h1-10,19-20H,11-18H2.
What are the key properties of bis(2-phenoxyethyl) cyclohexane-1,4-dicarboxylate?
bis(2-phenoxyethyl) cyclohexane-1,4-dicarboxylate has a molecular weight of 412.48 g/mol, XLogP of 4.04, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-phenoxyethyl) cyclohexane-1,4-dicarboxylate is sourced from PubChem (CID 71382770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).