4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxycarbonyl]cyclohexane-1,2-dicarboxylic acid

C15H24O9 — CID 66984163

IUPAC4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxycarbonyl]cyclohexane-1,2-dicarboxylic acid
SMILESO=C(OCCOCCOCCO)C1CCC(C(=O)O)C(C(=O)O)C1
InChIInChI=1S/C15H24O9/c16-3-4-22-5-6-23-7-8-24-15(21)10-1-2-11(13(17)18)12(9-10)14(19)20/h10-12,16H,1-9H2,(H,17,18)(H,19,20)
InChIKeyZAOHXQNUYUPHCL-UHFFFAOYSA-N
MW348.35 g/mol
LogP-0.24
Rot. Bonds11

About 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxycarbonyl]cyclohexane-1,2-dicarboxylic acid

4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxycarbonyl]cyclohexane-1,2-dicarboxylic acid (PubChem CID 66984163) has the molecular formula C15H24O9 and a molecular weight of 348.35 g/mol. Its IUPAC name is 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxycarbonyl]cyclohexane-1,2-dicarboxylic acid.

Molecular Properties

Compound Name4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxycarbonyl]cyclohexane-1,2-dicarboxylic acid
PubChem CID66984163
Molecular FormulaC15H24O9
Molecular Weight348.35 g/mol
Exact Mass348.14
IUPAC Name4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxycarbonyl]cyclohexane-1,2-dicarboxylic acid
SMILESO=C(OCCOCCOCCO)C1CCC(C(=O)O)C(C(=O)O)C1
InChIInChI=1S/C15H24O9/c16-3-4-22-5-6-23-7-8-24-15(21)10-1-2-11(13(17)18)12(9-10)14(19)20/h10-12,16H,1-9H2,(H,17,18)(H,19,20)
InChIKeyZAOHXQNUYUPHCL-UHFFFAOYSA-N
XLogP-0.24
TPSA139.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(2-hydroxyethoxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid
CID 66983093
cyclopropanecarbonyl chloride;2-[2-[2-(cyclopropanecarbonyloxy)ethoxy]ethoxy]ethyl cyclopropanecarboxylate;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 159662744
cyclopropanecarbonyl chloride;2-[2-(2-methoxyethoxy)ethoxy]ethanol;2-[2-(2-methoxyethoxy)ethoxy]ethyl cyclopropanecarboxylate
CID 158595485
2,5-bis(heptoxycarbonyl)cyclohexane-1-carboxylic acid
CID 66984693
4-[2-(2-ethoxyethoxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid
CID 69099387
4-methoxycarbonylcyclohexane-1,2-dicarboxylic acid
CID 23443945
3-(2-dodecoxyethoxycarbonyl)cyclohexane-1-carboxylic acid
CID 66984420
2-(2-hydroxyethoxy)ethyl 5-methyl-2-propan-2-ylcyclohexane-1-carboxylate
CID 21426272
cis-(1R,2S)-2-[2-[(1R,2R)-2-carboxycyclohexanecarbonyl]oxyethoxycarbonyl]cyclohexane-1-carboxylic acid
CID 7052272
tetrakis(2-hydroxyethyl) cyclohexane-1,2,4,5-tetracarboxylate
CID 66984791
4-decoxycarbonylcyclohexane-1,3-dicarboxylic acid
CID 151166538
4-dodecoxycarbonylcyclohexane-1,3-dicarboxylic acid
CID 151137290

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxycarbonyl]cyclohexane-1,2-dicarboxylic acid?
The IUPAC name of 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxycarbonyl]cyclohexane-1,2-dicarboxylic acid (CID 66984163) is 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxycarbonyl]cyclohexane-1,2-dicarboxylic acid.
What is the SMILES notation for 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxycarbonyl]cyclohexane-1,2-dicarboxylic acid?
The canonical SMILES for 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxycarbonyl]cyclohexane-1,2-dicarboxylic acid is O=C(OCCOCCOCCO)C1CCC(C(=O)O)C(C(=O)O)C1.
What is the InChIKey of 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxycarbonyl]cyclohexane-1,2-dicarboxylic acid?
The InChIKey is ZAOHXQNUYUPHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O9/c16-3-4-22-5-6-23-7-8-24-15(21)10-1-2-11(13(17)18)12(9-10)14(19)20/h10-12,16H,1-9H2,(H,17,18)(H,19,20).
What are the key properties of 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxycarbonyl]cyclohexane-1,2-dicarboxylic acid?
4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxycarbonyl]cyclohexane-1,2-dicarboxylic acid has a molecular weight of 348.35 g/mol, XLogP of -0.24, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxycarbonyl]cyclohexane-1,2-dicarboxylic acid is sourced from PubChem (CID 66984163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).