2-[2-(2-ethoxyethoxy)ethoxycarbonyl]-3,5-diethylcyclopentane-1-carboxylic acid

C17H30O6 — CID 54208615

IUPAC2-[2-(2-ethoxyethoxy)ethoxycarbonyl]-3,5-diethylcyclopentane-1-carboxylic acid
SMILESCCOCCOCCOC(=O)C1C(CC)CC(CC)C1C(=O)O
InChIInChI=1S/C17H30O6/c1-4-12-11-13(5-2)15(14(12)16(18)19)17(20)23-10-9-22-8-7-21-6-3/h12-15H,4-11H2,1-3H3,(H,18,19)
InChIKeyPUIACOAHCAHUQZ-UHFFFAOYSA-N
MW330.42 g/mol
LogP2.36
Rot. Bonds11

About 2-[2-(2-ethoxyethoxy)ethoxycarbonyl]-3,5-diethylcyclopentane-1-carboxylic acid

2-[2-(2-ethoxyethoxy)ethoxycarbonyl]-3,5-diethylcyclopentane-1-carboxylic acid (PubChem CID 54208615) has the molecular formula C17H30O6 and a molecular weight of 330.42 g/mol. Its IUPAC name is 2-[2-(2-ethoxyethoxy)ethoxycarbonyl]-3,5-diethylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2-ethoxyethoxy)ethoxycarbonyl]-3,5-diethylcyclopentane-1-carboxylic acid
PubChem CID54208615
Molecular FormulaC17H30O6
Molecular Weight330.42 g/mol
Exact Mass330.20
IUPAC Name2-[2-(2-ethoxyethoxy)ethoxycarbonyl]-3,5-diethylcyclopentane-1-carboxylic acid
SMILESCCOCCOCCOC(=O)C1C(CC)CC(CC)C1C(=O)O
InChIInChI=1S/C17H30O6/c1-4-12-11-13(5-2)15(14(12)16(18)19)17(20)23-10-9-22-8-7-21-6-3/h12-15H,4-11H2,1-3H3,(H,18,19)
InChIKeyPUIACOAHCAHUQZ-UHFFFAOYSA-N
XLogP2.36
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 52.36
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-ethoxyethoxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid
CID 69099387
3,5-diethyl-2-methoxycarbonylcyclopentane-1-carboxylic acid
CID 21351497
3-O-(1-adamantyl) 2-O-(2-ethoxyethyl) 5,6-dimethylbicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 23550659
2-O,3-O,4-O,5-O,6-O-pentakis(2-ethenoxyethyl) 1-O-(2-ethoxyethyl) cyclohexane-1,2,3,4,5,6-hexacarboxylate
CID 149463478
bis[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl] carbonate
CID 123756469
9-O-ethyl 8-O-(2-hydroxyethyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylate
CID 54286461
2-propoxyethyl cyclohexanecarboxylate
CID 66700127
4-[2-(2-hydroxyethoxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid
CID 66983093
2-(2-ethoxyethoxy)ethyl acetate;2-(2-propoxyethoxy)ethyl acetate
CID 162060487
2-propoxyethyl 4-aminocyclohexane-1-carboxylate
CID 63684339
3,5-diethyl-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxycarbonyl)cyclopentane-1-carboxylic acid
CID 54219643
3-(2-dodecoxyethoxycarbonyl)cyclohexane-1-carboxylic acid
CID 66984420

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethoxyethoxy)ethoxycarbonyl]-3,5-diethylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[2-(2-ethoxyethoxy)ethoxycarbonyl]-3,5-diethylcyclopentane-1-carboxylic acid (CID 54208615) is 2-[2-(2-ethoxyethoxy)ethoxycarbonyl]-3,5-diethylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(2-ethoxyethoxy)ethoxycarbonyl]-3,5-diethylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[2-(2-ethoxyethoxy)ethoxycarbonyl]-3,5-diethylcyclopentane-1-carboxylic acid is CCOCCOCCOC(=O)C1C(CC)CC(CC)C1C(=O)O.
What is the InChIKey of 2-[2-(2-ethoxyethoxy)ethoxycarbonyl]-3,5-diethylcyclopentane-1-carboxylic acid?
The InChIKey is PUIACOAHCAHUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O6/c1-4-12-11-13(5-2)15(14(12)16(18)19)17(20)23-10-9-22-8-7-21-6-3/h12-15H,4-11H2,1-3H3,(H,18,19).
What are the key properties of 2-[2-(2-ethoxyethoxy)ethoxycarbonyl]-3,5-diethylcyclopentane-1-carboxylic acid?
2-[2-(2-ethoxyethoxy)ethoxycarbonyl]-3,5-diethylcyclopentane-1-carboxylic acid has a molecular weight of 330.42 g/mol, XLogP of 2.36, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethoxyethoxy)ethoxycarbonyl]-3,5-diethylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 54208615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).