1-ethoxyethyl 2-ethyl-4-propan-2-ylcyclohexane-1-carboxylate

C16H30O3 — CID 20724639

IUPAC1-ethoxyethyl 2-ethyl-4-propan-2-ylcyclohexane-1-carboxylate
SMILESCCOC(C)OC(=O)C1CCC(C(C)C)CC1CC
InChIInChI=1S/C16H30O3/c1-6-13-10-14(11(3)4)8-9-15(13)16(17)19-12(5)18-7-2/h11-15H,6-10H2,1-5H3
InChIKeyTXGRFZKJABTKCG-UHFFFAOYSA-N
MW270.41 g/mol
LogP4.01
Rot. Bonds6

About 1-ethoxyethyl 2-ethyl-4-propan-2-ylcyclohexane-1-carboxylate

1-ethoxyethyl 2-ethyl-4-propan-2-ylcyclohexane-1-carboxylate (PubChem CID 20724639) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is 1-ethoxyethyl 2-ethyl-4-propan-2-ylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name1-ethoxyethyl 2-ethyl-4-propan-2-ylcyclohexane-1-carboxylate
PubChem CID20724639
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name1-ethoxyethyl 2-ethyl-4-propan-2-ylcyclohexane-1-carboxylate
SMILESCCOC(C)OC(=O)C1CCC(C(C)C)CC1CC
InChIInChI=1S/C16H30O3/c1-6-13-10-14(11(3)4)8-9-15(13)16(17)19-12(5)18-7-2/h11-15H,6-10H2,1-5H3
InChIKeyTXGRFZKJABTKCG-UHFFFAOYSA-N
XLogP4.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 54.01
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

2,3-Difluorobutoxymethyl 4-pentylcyclohexane-1-carboxylate
CID 141775474
Methyl 3-[3,4-bis(3-methoxy-3-oxopropyl)cyclohexyl]propanoate
CID 156470874
Ethyl 4-[2-(1,3-dioxan-2-yl)ethyl]cyclohexane-1-carboxylate
CID 176434454
Methyl 2,4,5-trimethylcyclohexanecarboxylate
CID 91694922
ethyl 2-[(1S,2S,3S,4R)-3-(dimethoxymethyl)-2,4-diformylcyclohexyl]acetate
CID 101808079
1-cyclohexyloxycarbonyloxyethyl (2R)-2-propyloctanoate
CID 11696129
Bis(2-methylpropyl) 4-methylcyclohexane-1,2-dicarboxylate
CID 17831786
Ethyl 4-(2-methylpentan-3-yl)cyclohexane-1-carboxylate
CID 18471787
Methyl 4-[4-[2-(1,3-dioxan-2-yl)ethyl]cyclohexyl]cyclohexane-1-carboxylate
CID 18979508
(4-Propan-2-ylcyclohexyl)methyl hexadecanoate
CID 19693161
(4-Propan-2-ylcyclohexyl)methyl octanoate
CID 19693169
Propyl 4-(2-ethyl-5-methylcyclohexyl)-4-oxobutanoate
CID 19743309

Frequently Asked Questions

What is the IUPAC name of 1-ethoxyethyl 2-ethyl-4-propan-2-ylcyclohexane-1-carboxylate?
The IUPAC name of 1-ethoxyethyl 2-ethyl-4-propan-2-ylcyclohexane-1-carboxylate (CID 20724639) is 1-ethoxyethyl 2-ethyl-4-propan-2-ylcyclohexane-1-carboxylate.
What is the SMILES notation for 1-ethoxyethyl 2-ethyl-4-propan-2-ylcyclohexane-1-carboxylate?
The canonical SMILES for 1-ethoxyethyl 2-ethyl-4-propan-2-ylcyclohexane-1-carboxylate is CCOC(C)OC(=O)C1CCC(C(C)C)CC1CC.
What is the InChIKey of 1-ethoxyethyl 2-ethyl-4-propan-2-ylcyclohexane-1-carboxylate?
The InChIKey is TXGRFZKJABTKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3/c1-6-13-10-14(11(3)4)8-9-15(13)16(17)19-12(5)18-7-2/h11-15H,6-10H2,1-5H3.
What are the key properties of 1-ethoxyethyl 2-ethyl-4-propan-2-ylcyclohexane-1-carboxylate?
1-ethoxyethyl 2-ethyl-4-propan-2-ylcyclohexane-1-carboxylate has a molecular weight of 270.41 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyethyl 2-ethyl-4-propan-2-ylcyclohexane-1-carboxylate is sourced from PubChem (CID 20724639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).