1-ethoxyethyl 3-propan-2-ylcyclohexane-1-carboxylate

C14H26O3 — CID 20697962

IUPAC1-ethoxyethyl 3-propan-2-ylcyclohexane-1-carboxylate
SMILESCCOC(C)OC(=O)C1CCCC(C(C)C)C1
InChIInChI=1S/C14H26O3/c1-5-16-11(4)17-14(15)13-8-6-7-12(9-13)10(2)3/h10-13H,5-9H2,1-4H3
InChIKeyWLYYBFOCGJIMCV-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.37
Rot. Bonds5

About 1-ethoxyethyl 3-propan-2-ylcyclohexane-1-carboxylate

1-ethoxyethyl 3-propan-2-ylcyclohexane-1-carboxylate (PubChem CID 20697962) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-ethoxyethyl 3-propan-2-ylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name1-ethoxyethyl 3-propan-2-ylcyclohexane-1-carboxylate
PubChem CID20697962
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name1-ethoxyethyl 3-propan-2-ylcyclohexane-1-carboxylate
SMILESCCOC(C)OC(=O)C1CCCC(C(C)C)C1
InChIInChI=1S/C14H26O3/c1-5-16-11(4)17-14(15)13-8-6-7-12(9-13)10(2)3/h10-13H,5-9H2,1-4H3
InChIKeyWLYYBFOCGJIMCV-UHFFFAOYSA-N
XLogP3.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-cyclohexylpropionate
CID 160641
Ethyl 3-cyclohexylbutanoate
CID 11041742
Ethyl 3,3,5-trimethylcyclohexaneacetate
CID 122545
ethyl (3S)-3-cyclohexylbutanoate
CID 92983078
2-Methylpropyl 2-cyclohexylpropanoate
CID 21117146
Ethyl 2-(2-fluoro-5-methylcyclohexyl)acetate
CID 174843996
Propionic acid, 3-(2-methylcyclohexyl)-, ethyl ester
CID 544128
2-Propanoyloxyethyl 2-(3-methylcyclohexyl)propanoate
CID 142609759
ethyl (3S)-3-cyclohexylpentanoate
CID 10954866
Ethyl 3-(trans-4'-methylcyclohexyl)butanoate
CID 129825146
Methyl cis-3-ethyl oxirane octanoate
CID 129887351
5-Methoxy-4-[(1-methylcyclohexyl)methyl]oxolan-2-one
CID 134850270

Frequently Asked Questions

What is the IUPAC name of 1-ethoxyethyl 3-propan-2-ylcyclohexane-1-carboxylate?
The IUPAC name of 1-ethoxyethyl 3-propan-2-ylcyclohexane-1-carboxylate (CID 20697962) is 1-ethoxyethyl 3-propan-2-ylcyclohexane-1-carboxylate.
What is the SMILES notation for 1-ethoxyethyl 3-propan-2-ylcyclohexane-1-carboxylate?
The canonical SMILES for 1-ethoxyethyl 3-propan-2-ylcyclohexane-1-carboxylate is CCOC(C)OC(=O)C1CCCC(C(C)C)C1.
What is the InChIKey of 1-ethoxyethyl 3-propan-2-ylcyclohexane-1-carboxylate?
The InChIKey is WLYYBFOCGJIMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-5-16-11(4)17-14(15)13-8-6-7-12(9-13)10(2)3/h10-13H,5-9H2,1-4H3.
What are the key properties of 1-ethoxyethyl 3-propan-2-ylcyclohexane-1-carboxylate?
1-ethoxyethyl 3-propan-2-ylcyclohexane-1-carboxylate has a molecular weight of 242.36 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyethyl 3-propan-2-ylcyclohexane-1-carboxylate is sourced from PubChem (CID 20697962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).