4-[2-(2-hydroxyethoxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid

C12H20O6 — CID 66983093

IUPAC4-[2-(2-hydroxyethoxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)OCCOCCO)CC1
InChIInChI=1S/C12H20O6/c13-5-6-17-7-8-18-12(16)10-3-1-9(2-4-10)11(14)15/h9-10,13H,1-8H2,(H,14,15)
InChIKeyVEXFNUFRLRIMNL-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.43
Rot. Bonds7

About 4-[2-(2-hydroxyethoxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid

4-[2-(2-hydroxyethoxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid (PubChem CID 66983093) has the molecular formula C12H20O6 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-[2-(2-hydroxyethoxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2-hydroxyethoxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid
PubChem CID66983093
Molecular FormulaC12H20O6
Molecular Weight260.29 g/mol
Exact Mass260.13
IUPAC Name4-[2-(2-hydroxyethoxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)OCCOCCO)CC1
InChIInChI=1S/C12H20O6/c13-5-6-17-7-8-18-12(16)10-3-1-9(2-4-10)11(14)15/h9-10,13H,1-8H2,(H,14,15)
InChIKeyVEXFNUFRLRIMNL-UHFFFAOYSA-N
XLogP0.43
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(2-ethoxyethoxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid
CID 69099387
cyclopropanecarbonyl chloride;2-[2-[2-(cyclopropanecarbonyloxy)ethoxy]ethoxy]ethyl cyclopropanecarboxylate;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 159662744
4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxycarbonyl]cyclohexane-1,2-dicarboxylic acid
CID 66984163
cyclopropanecarbonyl chloride;2-[2-(2-methoxyethoxy)ethoxy]ethanol;2-[2-(2-methoxyethoxy)ethoxy]ethyl cyclopropanecarboxylate
CID 158595485
4-[2-(2-hydroxyethoxy)ethylamino]cyclohexane-1-carboxylic acid
CID 61070332
4-[4-(4-butoxycarbonylcyclohexanecarbonyl)oxybutoxycarbonyl]cyclohexane-1-carboxylic acid
CID 118066352
2-[2-(2-methoxyethoxy)ethoxy]ethyl cyclobutanecarboxylate
CID 10192770
ethane-1,2-diol;4-(10-methylundecoxycarbonyl)cyclohexane-1-carboxylic acid
CID 174499300
2-propoxyethyl 4-aminocyclohexane-1-carboxylate
CID 63684339
4-hexoxycarbonylcyclohexane-1-carboxylic acid
CID 66983917
4-heptoxycarbonylcyclohexane-1-carboxylic acid
CID 66984396
4-tridecoxycarbonylcyclohexane-1-carboxylic acid
CID 141262604

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-hydroxyethoxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[2-(2-hydroxyethoxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid (CID 66983093) is 4-[2-(2-hydroxyethoxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[2-(2-hydroxyethoxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[2-(2-hydroxyethoxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(C(=O)OCCOCCO)CC1.
What is the InChIKey of 4-[2-(2-hydroxyethoxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid?
The InChIKey is VEXFNUFRLRIMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O6/c13-5-6-17-7-8-18-12(16)10-3-1-9(2-4-10)11(14)15/h9-10,13H,1-8H2,(H,14,15).
What are the key properties of 4-[2-(2-hydroxyethoxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid?
4-[2-(2-hydroxyethoxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 0.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-hydroxyethoxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 66983093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).