1,1-dicyclohexyl-2-[6-(2,2-dicyclohexyl-2-hydroxyethyl)-2-pyridinyl]ethanol

C33H53NO2 — CID 132936763

IUPAC1,1-dicyclohexyl-2-[6-(2,2-dicyclohexyl-2-hydroxyethyl)-2-pyridinyl]ethanol
SMILESOC(Cc1cccc(CC(O)(C2CCCCC2)C2CCCCC2)n1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C33H53NO2/c35-32(26-14-5-1-6-15-26,27-16-7-2-8-17-27)24-30-22-13-23-31(34-30)25-33(36,28-18-9-3-10-19-28)29-20-11-4-12-21-29/h13,22-23,26-29,35-36H,1-12,14-21,24-25H2
InChIKeyYZABKRAJEDKNMW-UHFFFAOYSA-N
MW495.79 g/mol
LogP7.95
Rot. Bonds8

About 1,1-dicyclohexyl-2-[6-(2,2-dicyclohexyl-2-hydroxyethyl)-2-pyridinyl]ethanol

1,1-dicyclohexyl-2-[6-(2,2-dicyclohexyl-2-hydroxyethyl)-2-pyridinyl]ethanol (PubChem CID 132936763) has the molecular formula C33H53NO2 and a molecular weight of 495.79 g/mol. Its IUPAC name is 1,1-dicyclohexyl-2-[6-(2,2-dicyclohexyl-2-hydroxyethyl)-2-pyridinyl]ethanol.

Molecular Properties

Compound Name1,1-dicyclohexyl-2-[6-(2,2-dicyclohexyl-2-hydroxyethyl)-2-pyridinyl]ethanol
PubChem CID132936763
Molecular FormulaC33H53NO2
Molecular Weight495.79 g/mol
Exact Mass495.41
IUPAC Name1,1-dicyclohexyl-2-[6-(2,2-dicyclohexyl-2-hydroxyethyl)-2-pyridinyl]ethanol
SMILESOC(Cc1cccc(CC(O)(C2CCCCC2)C2CCCCC2)n1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C33H53NO2/c35-32(26-14-5-1-6-15-26,27-16-7-2-8-17-27)24-30-22-13-23-31(34-30)25-33(36,28-18-9-3-10-19-28)29-20-11-4-12-21-29/h13,22-23,26-29,35-36H,1-12,14-21,24-25H2
InChIKeyYZABKRAJEDKNMW-UHFFFAOYSA-N
XLogP7.95
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.79
LogP ≤ 57.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-dicyclohexyl-2-[6-(2,2-dicyclohexyl-2-hydroxyethyl)-2-pyridinyl]ethanol?
The IUPAC name of 1,1-dicyclohexyl-2-[6-(2,2-dicyclohexyl-2-hydroxyethyl)-2-pyridinyl]ethanol (CID 132936763) is 1,1-dicyclohexyl-2-[6-(2,2-dicyclohexyl-2-hydroxyethyl)-2-pyridinyl]ethanol.
What is the SMILES notation for 1,1-dicyclohexyl-2-[6-(2,2-dicyclohexyl-2-hydroxyethyl)-2-pyridinyl]ethanol?
The canonical SMILES for 1,1-dicyclohexyl-2-[6-(2,2-dicyclohexyl-2-hydroxyethyl)-2-pyridinyl]ethanol is OC(Cc1cccc(CC(O)(C2CCCCC2)C2CCCCC2)n1)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 1,1-dicyclohexyl-2-[6-(2,2-dicyclohexyl-2-hydroxyethyl)-2-pyridinyl]ethanol?
The InChIKey is YZABKRAJEDKNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H53NO2/c35-32(26-14-5-1-6-15-26,27-16-7-2-8-17-27)24-30-22-13-23-31(34-30)25-33(36,28-18-9-3-10-19-28)29-20-11-4-12-21-29/h13,22-23,26-29,35-36H,1-12,14-21,24-25H2.
What are the key properties of 1,1-dicyclohexyl-2-[6-(2,2-dicyclohexyl-2-hydroxyethyl)-2-pyridinyl]ethanol?
1,1-dicyclohexyl-2-[6-(2,2-dicyclohexyl-2-hydroxyethyl)-2-pyridinyl]ethanol has a molecular weight of 495.79 g/mol, XLogP of 7.95, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dicyclohexyl-2-[6-(2,2-dicyclohexyl-2-hydroxyethyl)-2-pyridinyl]ethanol is sourced from PubChem (CID 132936763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).