4-tert-butyl-1-[(5-ethyl-2-pyridinyl)methyl]cyclohexan-1-ol

C18H29NO — CID 79740383

IUPAC4-tert-butyl-1-[(5-ethyl-2-pyridinyl)methyl]cyclohexan-1-ol
SMILESCCc1ccc(CC2(O)CCC(C(C)(C)C)CC2)nc1
InChIInChI=1S/C18H29NO/c1-5-14-6-7-16(19-13-14)12-18(20)10-8-15(9-11-18)17(2,3)4/h6-7,13,15,20H,5,8-12H2,1-4H3
InChIKeyXXUUHFXZYCNAEW-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.15
Rot. Bonds3

About 4-tert-butyl-1-[(5-ethyl-2-pyridinyl)methyl]cyclohexan-1-ol

4-tert-butyl-1-[(5-ethyl-2-pyridinyl)methyl]cyclohexan-1-ol (PubChem CID 79740383) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 4-tert-butyl-1-[(5-ethyl-2-pyridinyl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-1-[(5-ethyl-2-pyridinyl)methyl]cyclohexan-1-ol
PubChem CID79740383
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name4-tert-butyl-1-[(5-ethyl-2-pyridinyl)methyl]cyclohexan-1-ol
SMILESCCc1ccc(CC2(O)CCC(C(C)(C)C)CC2)nc1
InChIInChI=1S/C18H29NO/c1-5-14-6-7-16(19-13-14)12-18(20)10-8-15(9-11-18)17(2,3)4/h6-7,13,15,20H,5,8-12H2,1-4H3
InChIKeyXXUUHFXZYCNAEW-UHFFFAOYSA-N
XLogP4.15
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-[(5-ethyl-2-pyridinyl)methyl]cyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-1-[(5-ethyl-2-pyridinyl)methyl]cyclohexan-1-ol (CID 79740383) is 4-tert-butyl-1-[(5-ethyl-2-pyridinyl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-1-[(5-ethyl-2-pyridinyl)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-1-[(5-ethyl-2-pyridinyl)methyl]cyclohexan-1-ol is CCc1ccc(CC2(O)CCC(C(C)(C)C)CC2)nc1.
What is the InChIKey of 4-tert-butyl-1-[(5-ethyl-2-pyridinyl)methyl]cyclohexan-1-ol?
The InChIKey is XXUUHFXZYCNAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-5-14-6-7-16(19-13-14)12-18(20)10-8-15(9-11-18)17(2,3)4/h6-7,13,15,20H,5,8-12H2,1-4H3.
What are the key properties of 4-tert-butyl-1-[(5-ethyl-2-pyridinyl)methyl]cyclohexan-1-ol?
4-tert-butyl-1-[(5-ethyl-2-pyridinyl)methyl]cyclohexan-1-ol has a molecular weight of 275.44 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-[(5-ethyl-2-pyridinyl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 79740383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).