ethyl 2-[4-(6-methyl-2-pyridinyl)cyclohexyl]butanoate

C18H27NO2 — CID 142471263

IUPACethyl 2-[4-(6-methyl-2-pyridinyl)cyclohexyl]butanoate
SMILESCCOC(=O)C(CC)C1CCC(c2cccc(C)n2)CC1
InChIInChI=1S/C18H27NO2/c1-4-16(18(20)21-5-2)14-9-11-15(12-10-14)17-8-6-7-13(3)19-17/h6-8,14-16H,4-5,9-12H2,1-3H3
InChIKeyKZTQUQQAFRDPHW-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.25
Rot. Bonds5

About ethyl 2-[4-(6-methyl-2-pyridinyl)cyclohexyl]butanoate

ethyl 2-[4-(6-methyl-2-pyridinyl)cyclohexyl]butanoate (PubChem CID 142471263) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is ethyl 2-[4-(6-methyl-2-pyridinyl)cyclohexyl]butanoate.

Molecular Properties

Compound Nameethyl 2-[4-(6-methyl-2-pyridinyl)cyclohexyl]butanoate
PubChem CID142471263
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Nameethyl 2-[4-(6-methyl-2-pyridinyl)cyclohexyl]butanoate
SMILESCCOC(=O)C(CC)C1CCC(c2cccc(C)n2)CC1
InChIInChI=1S/C18H27NO2/c1-4-16(18(20)21-5-2)14-9-11-15(12-10-14)17-8-6-7-13(3)19-17/h6-8,14-16H,4-5,9-12H2,1-3H3
InChIKeyKZTQUQQAFRDPHW-UHFFFAOYSA-N
XLogP4.25
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(6-methyl-2-pyridinyl)cyclohexyl]butanoate?
The IUPAC name of ethyl 2-[4-(6-methyl-2-pyridinyl)cyclohexyl]butanoate (CID 142471263) is ethyl 2-[4-(6-methyl-2-pyridinyl)cyclohexyl]butanoate.
What is the SMILES notation for ethyl 2-[4-(6-methyl-2-pyridinyl)cyclohexyl]butanoate?
The canonical SMILES for ethyl 2-[4-(6-methyl-2-pyridinyl)cyclohexyl]butanoate is CCOC(=O)C(CC)C1CCC(c2cccc(C)n2)CC1.
What is the InChIKey of ethyl 2-[4-(6-methyl-2-pyridinyl)cyclohexyl]butanoate?
The InChIKey is KZTQUQQAFRDPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-4-16(18(20)21-5-2)14-9-11-15(12-10-14)17-8-6-7-13(3)19-17/h6-8,14-16H,4-5,9-12H2,1-3H3.
What are the key properties of ethyl 2-[4-(6-methyl-2-pyridinyl)cyclohexyl]butanoate?
ethyl 2-[4-(6-methyl-2-pyridinyl)cyclohexyl]butanoate has a molecular weight of 289.42 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(6-methyl-2-pyridinyl)cyclohexyl]butanoate is sourced from PubChem (CID 142471263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).