2-methoxyethyl cyclohexanecarboxylate

C10H18O3 — CID 10583712

IUPAC2-methoxyethyl cyclohexanecarboxylate
SMILESCOCCOC(=O)C1CCCCC1
InChIInChI=1S/C10H18O3/c1-12-7-8-13-10(11)9-5-3-2-4-6-9/h9H,2-8H2,1H3
InChIKeyMXOSCSCYXTXDAG-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.76
Rot. Bonds4

About 2-methoxyethyl cyclohexanecarboxylate

2-methoxyethyl cyclohexanecarboxylate (PubChem CID 10583712) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-methoxyethyl cyclohexanecarboxylate.

Molecular Properties

Compound Name2-methoxyethyl cyclohexanecarboxylate
PubChem CID10583712
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-methoxyethyl cyclohexanecarboxylate
SMILESCOCCOC(=O)C1CCCCC1
InChIInChI=1S/C10H18O3/c1-12-7-8-13-10(11)9-5-3-2-4-6-9/h9H,2-8H2,1H3
InChIKeyMXOSCSCYXTXDAG-UHFFFAOYSA-N
XLogP1.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.76
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-methoxyethyl cyclohexanecarboxylate?
The IUPAC name of 2-methoxyethyl cyclohexanecarboxylate (CID 10583712) is 2-methoxyethyl cyclohexanecarboxylate.
What is the SMILES notation for 2-methoxyethyl cyclohexanecarboxylate?
The canonical SMILES for 2-methoxyethyl cyclohexanecarboxylate is COCCOC(=O)C1CCCCC1.
What is the InChIKey of 2-methoxyethyl cyclohexanecarboxylate?
The InChIKey is MXOSCSCYXTXDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-12-7-8-13-10(11)9-5-3-2-4-6-9/h9H,2-8H2,1H3.
What are the key properties of 2-methoxyethyl cyclohexanecarboxylate?
2-methoxyethyl cyclohexanecarboxylate has a molecular weight of 186.25 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl cyclohexanecarboxylate is sourced from PubChem (CID 10583712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).