2-ethoxyethyl cyclohexanecarboxylate

C11H20O3 — CID 53437878

IUPAC2-ethoxyethyl cyclohexanecarboxylate
SMILESCCOCCOC(=O)C1CCCCC1
InChIInChI=1S/C11H20O3/c1-2-13-8-9-14-11(12)10-6-4-3-5-7-10/h10H,2-9H2,1H3
InChIKeyAKRUEXYXCUBJLR-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.15
Rot. Bonds5

About 2-ethoxyethyl cyclohexanecarboxylate

2-ethoxyethyl cyclohexanecarboxylate (PubChem CID 53437878) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-ethoxyethyl cyclohexanecarboxylate.

Molecular Properties

Compound Name2-ethoxyethyl cyclohexanecarboxylate
PubChem CID53437878
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name2-ethoxyethyl cyclohexanecarboxylate
SMILESCCOCCOC(=O)C1CCCCC1
InChIInChI=1S/C11H20O3/c1-2-13-8-9-14-11(12)10-6-4-3-5-7-10/h10H,2-9H2,1H3
InChIKeyAKRUEXYXCUBJLR-UHFFFAOYSA-N
XLogP2.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl cyclohexanecarboxylate?
The IUPAC name of 2-ethoxyethyl cyclohexanecarboxylate (CID 53437878) is 2-ethoxyethyl cyclohexanecarboxylate.
What is the SMILES notation for 2-ethoxyethyl cyclohexanecarboxylate?
The canonical SMILES for 2-ethoxyethyl cyclohexanecarboxylate is CCOCCOC(=O)C1CCCCC1.
What is the InChIKey of 2-ethoxyethyl cyclohexanecarboxylate?
The InChIKey is AKRUEXYXCUBJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-2-13-8-9-14-11(12)10-6-4-3-5-7-10/h10H,2-9H2,1H3.
What are the key properties of 2-ethoxyethyl cyclohexanecarboxylate?
2-ethoxyethyl cyclohexanecarboxylate has a molecular weight of 200.28 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl cyclohexanecarboxylate is sourced from PubChem (CID 53437878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).