ethyl 4-(4-ethoxycarbonylcyclohexyl)cyclohexane-1-carboxylate

C18H30O4 — CID 126501888

IUPACethyl 4-(4-ethoxycarbonylcyclohexyl)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(C2CCC(C(=O)OCC)CC2)CC1
InChIInChI=1S/C18H30O4/c1-3-21-17(19)15-9-5-13(6-10-15)14-7-11-16(12-8-14)18(20)22-4-2/h13-16H,3-12H2,1-2H3
InChIKeyNOIJYYGXURZUAW-UHFFFAOYSA-N
MW310.43 g/mol
LogP3.73
Rot. Bonds5

About ethyl 4-(4-ethoxycarbonylcyclohexyl)cyclohexane-1-carboxylate

ethyl 4-(4-ethoxycarbonylcyclohexyl)cyclohexane-1-carboxylate (PubChem CID 126501888) has the molecular formula C18H30O4 and a molecular weight of 310.43 g/mol. Its IUPAC name is ethyl 4-(4-ethoxycarbonylcyclohexyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-ethoxycarbonylcyclohexyl)cyclohexane-1-carboxylate
PubChem CID126501888
Molecular FormulaC18H30O4
Molecular Weight310.43 g/mol
Exact Mass310.21
IUPAC Nameethyl 4-(4-ethoxycarbonylcyclohexyl)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(C2CCC(C(=O)OCC)CC2)CC1
InChIInChI=1S/C18H30O4/c1-3-21-17(19)15-9-5-13(6-10-15)14-7-11-16(12-8-14)18(20)22-4-2/h13-16H,3-12H2,1-2H3
InChIKeyNOIJYYGXURZUAW-UHFFFAOYSA-N
XLogP3.73
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 174491802
ethyl 4-chlorocyclohexane-1-carboxylate
CID 44558677
ethyl 4-(4-ethenylcyclohexyl)cyclohexane-1-carboxylate
CID 89302696
diethyl cyclopentane-1,3-dicarboxylate
CID 66930159
6-ethoxycarbonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylic acid
CID 163840432
ethyl cyclohexanecarboxylate;hydrochloride
CID 68985516
ethyl 8-aminobicyclo[3.2.1]octane-3-carboxylate
CID 69301071
ethyl 4-deuterio-4-(trideuteriomethyl)cyclohexane-1-carboxylate
CID 89113867
ethyl 4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]cyclohexane-1-carboxylate
CID 149289083
(4-ethoxycarbonylcyclohexyl)oxythallium;phosphane;sulfanide
CID 58512073
ethyl 4-(methylaminomethyl)cyclohexane-1-carboxylate
CID 20757661
ethyl 4-hydroxycyclohexane-1-carboxylate;4-hydroxycyclohexane-1-carboxylic acid
CID 161494785

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-ethoxycarbonylcyclohexyl)cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-(4-ethoxycarbonylcyclohexyl)cyclohexane-1-carboxylate (CID 126501888) is ethyl 4-(4-ethoxycarbonylcyclohexyl)cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-ethoxycarbonylcyclohexyl)cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-(4-ethoxycarbonylcyclohexyl)cyclohexane-1-carboxylate is CCOC(=O)C1CCC(C2CCC(C(=O)OCC)CC2)CC1.
What is the InChIKey of ethyl 4-(4-ethoxycarbonylcyclohexyl)cyclohexane-1-carboxylate?
The InChIKey is NOIJYYGXURZUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O4/c1-3-21-17(19)15-9-5-13(6-10-15)14-7-11-16(12-8-14)18(20)22-4-2/h13-16H,3-12H2,1-2H3.
What are the key properties of ethyl 4-(4-ethoxycarbonylcyclohexyl)cyclohexane-1-carboxylate?
ethyl 4-(4-ethoxycarbonylcyclohexyl)cyclohexane-1-carboxylate has a molecular weight of 310.43 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-ethoxycarbonylcyclohexyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 126501888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).