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

C17H32O3 — CID 20724642

IUPAC1-ethoxypropyl 2-ethyl-4-propan-2-ylcyclohexane-1-carboxylate
SMILESCCOC(CC)OC(=O)C1CCC(C(C)C)CC1CC
InChIInChI=1S/C17H32O3/c1-6-13-11-14(12(4)5)9-10-15(13)17(18)20-16(7-2)19-8-3/h12-16H,6-11H2,1-5H3
InChIKeyHPUVRSCSXTYDJH-UHFFFAOYSA-N
MW284.44 g/mol
LogP4.40
Rot. Bonds7

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

1-ethoxypropyl 2-ethyl-4-propan-2-ylcyclohexane-1-carboxylate (PubChem CID 20724642) has the molecular formula C17H32O3 and a molecular weight of 284.44 g/mol. Its IUPAC name is 1-ethoxypropyl 2-ethyl-4-propan-2-ylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name1-ethoxypropyl 2-ethyl-4-propan-2-ylcyclohexane-1-carboxylate
PubChem CID20724642
Molecular FormulaC17H32O3
Molecular Weight284.44 g/mol
Exact Mass284.24
IUPAC Name1-ethoxypropyl 2-ethyl-4-propan-2-ylcyclohexane-1-carboxylate
SMILESCCOC(CC)OC(=O)C1CCC(C(C)C)CC1CC
InChIInChI=1S/C17H32O3/c1-6-13-11-14(12(4)5)9-10-15(13)17(18)20-16(7-2)19-8-3/h12-16H,6-11H2,1-5H3
InChIKeyHPUVRSCSXTYDJH-UHFFFAOYSA-N
XLogP4.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 54.40
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

Cyclohexaneoctanoic acid, (((2-ethylhexyl)oxy)carbonyl)-4-hexyl-, 2-ethylhexyl ester
CID 3085767
Cyclohexaneoctanoic acid, ((dodecyloxy)carbonyl)-4-hexyl-, dodecyl ester
CID 3085769
Cyclohexaneoctanoic acid, 2(or 3)-[[(2-ethylhexyl)oxy]carbonyl]-4-hexyl-, 2-ethylhexyl ester
CID 6455570
Tris(1-propoxyethyl) cyclohexane-1,2,4-tricarboxylate
CID 86011312
2,3-Difluorobutoxymethyl 4-pentylcyclohexane-1-carboxylate
CID 141775474
4-(4-Methyl-cyclohexyl)-butyric acid 2-ethyl-hexyl ester
CID 129658668
4-(4-Methyl-cyclohexyl)-butyric acid octyl ester
CID 129658719
4-(4-Methyl-cyclohexyl)-butyric acid dodecyl ester
CID 129659274
Ethyl 7-(2'-n-propylcyclohexyl) nonanoate
CID 129726588
Ethyl 4-[2-(1,3-dioxan-2-yl)ethyl]cyclohexane-1-carboxylate
CID 176434454
2-Ethylhexyl 5-{8-[(2-ethylhexyl)oxy]-8-oxooctyl}-2-hexylcyclohexane-1-carboxylate
CID 73556725
Dodecyl 5-[8-(dodecyloxy)-8-oxooctyl]-2-hexylcyclohexane-1-carboxylate
CID 73556727

Frequently Asked Questions

What is the IUPAC name of 1-ethoxypropyl 2-ethyl-4-propan-2-ylcyclohexane-1-carboxylate?
The IUPAC name of 1-ethoxypropyl 2-ethyl-4-propan-2-ylcyclohexane-1-carboxylate (CID 20724642) is 1-ethoxypropyl 2-ethyl-4-propan-2-ylcyclohexane-1-carboxylate.
What is the SMILES notation for 1-ethoxypropyl 2-ethyl-4-propan-2-ylcyclohexane-1-carboxylate?
The canonical SMILES for 1-ethoxypropyl 2-ethyl-4-propan-2-ylcyclohexane-1-carboxylate is CCOC(CC)OC(=O)C1CCC(C(C)C)CC1CC.
What is the InChIKey of 1-ethoxypropyl 2-ethyl-4-propan-2-ylcyclohexane-1-carboxylate?
The InChIKey is HPUVRSCSXTYDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O3/c1-6-13-11-14(12(4)5)9-10-15(13)17(18)20-16(7-2)19-8-3/h12-16H,6-11H2,1-5H3.
What are the key properties of 1-ethoxypropyl 2-ethyl-4-propan-2-ylcyclohexane-1-carboxylate?
1-ethoxypropyl 2-ethyl-4-propan-2-ylcyclohexane-1-carboxylate has a molecular weight of 284.44 g/mol, XLogP of 4.40, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxypropyl 2-ethyl-4-propan-2-ylcyclohexane-1-carboxylate is sourced from PubChem (CID 20724642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).