ethyl 4-(6-propan-2-yl-2-pyridinyl)cyclohexane-1-carboxylate

C17H25NO2 — CID 58485008

IUPACethyl 4-(6-propan-2-yl-2-pyridinyl)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(c2cccc(C(C)C)n2)CC1
InChIInChI=1S/C17H25NO2/c1-4-20-17(19)14-10-8-13(9-11-14)16-7-5-6-15(18-16)12(2)3/h5-7,12-14H,4,8-11H2,1-3H3
InChIKeyWBJSIAHQPVCLRZ-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.04
Rot. Bonds4

About ethyl 4-(6-propan-2-yl-2-pyridinyl)cyclohexane-1-carboxylate

ethyl 4-(6-propan-2-yl-2-pyridinyl)cyclohexane-1-carboxylate (PubChem CID 58485008) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is ethyl 4-(6-propan-2-yl-2-pyridinyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(6-propan-2-yl-2-pyridinyl)cyclohexane-1-carboxylate
PubChem CID58485008
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Nameethyl 4-(6-propan-2-yl-2-pyridinyl)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(c2cccc(C(C)C)n2)CC1
InChIInChI=1S/C17H25NO2/c1-4-20-17(19)14-10-8-13(9-11-14)16-7-5-6-15(18-16)12(2)3/h5-7,12-14H,4,8-11H2,1-3H3
InChIKeyWBJSIAHQPVCLRZ-UHFFFAOYSA-N
XLogP4.04
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(6-propan-2-yl-2-pyridinyl)cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-(6-propan-2-yl-2-pyridinyl)cyclohexane-1-carboxylate (CID 58485008) is ethyl 4-(6-propan-2-yl-2-pyridinyl)cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-(6-propan-2-yl-2-pyridinyl)cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-(6-propan-2-yl-2-pyridinyl)cyclohexane-1-carboxylate is CCOC(=O)C1CCC(c2cccc(C(C)C)n2)CC1.
What is the InChIKey of ethyl 4-(6-propan-2-yl-2-pyridinyl)cyclohexane-1-carboxylate?
The InChIKey is WBJSIAHQPVCLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-4-20-17(19)14-10-8-13(9-11-14)16-7-5-6-15(18-16)12(2)3/h5-7,12-14H,4,8-11H2,1-3H3.
What are the key properties of ethyl 4-(6-propan-2-yl-2-pyridinyl)cyclohexane-1-carboxylate?
ethyl 4-(6-propan-2-yl-2-pyridinyl)cyclohexane-1-carboxylate has a molecular weight of 275.39 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(6-propan-2-yl-2-pyridinyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 58485008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).