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

C14H24O6 — CID 69099387

IUPAC4-[2-(2-ethoxyethoxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid
SMILESCCOCCOCCOC(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C14H24O6/c1-2-18-7-8-19-9-10-20-14(17)12-5-3-11(4-6-12)13(15)16/h11-12H,2-10H2,1H3,(H,15,16)
InChIKeyOCEBHEREDQVXOE-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.47
Rot. Bonds9

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

4-[2-(2-ethoxyethoxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid (PubChem CID 69099387) has the molecular formula C14H24O6 and a molecular weight of 288.34 g/mol. Its IUPAC name is 4-[2-(2-ethoxyethoxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2-ethoxyethoxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid
PubChem CID69099387
Molecular FormulaC14H24O6
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Name4-[2-(2-ethoxyethoxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid
SMILESCCOCCOCCOC(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C14H24O6/c1-2-18-7-8-19-9-10-20-14(17)12-5-3-11(4-6-12)13(15)16/h11-12H,2-10H2,1H3,(H,15,16)
InChIKeyOCEBHEREDQVXOE-UHFFFAOYSA-N
XLogP1.47
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
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-hydroxyethoxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid
CID 66983093
2-[2-(2-ethoxyethoxy)ethoxycarbonyl]-3,5-diethylcyclopentane-1-carboxylic acid
CID 54208615
4-[4-(4-butoxycarbonylcyclohexanecarbonyl)oxybutoxycarbonyl]cyclohexane-1-carboxylic acid
CID 118066352
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
ethyl 4-hydroxycyclohexane-1-carboxylate;4-hydroxycyclohexane-1-carboxylic acid
CID 161494785
2-propoxyethyl cyclohexanecarboxylate
CID 66700127
2-[2-(2-methoxyethoxy)ethoxy]ethyl cyclobutanecarboxylate
CID 10192770
4-[(2-ethoxyethylamino)methyl]cyclohexane-1-carboxylic acid
CID 79531975
2-(2-methoxyethoxy)ethyl 4-(aminomethyl)cyclohexane-1-carboxylate
CID 104563304

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-ethoxyethoxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[2-(2-ethoxyethoxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid (CID 69099387) is 4-[2-(2-ethoxyethoxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[2-(2-ethoxyethoxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[2-(2-ethoxyethoxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid is CCOCCOCCOC(=O)C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[2-(2-ethoxyethoxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid?
The InChIKey is OCEBHEREDQVXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O6/c1-2-18-7-8-19-9-10-20-14(17)12-5-3-11(4-6-12)13(15)16/h11-12H,2-10H2,1H3,(H,15,16).
What are the key properties of 4-[2-(2-ethoxyethoxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid?
4-[2-(2-ethoxyethoxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid has a molecular weight of 288.34 g/mol, XLogP of 1.47, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-ethoxyethoxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 69099387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).