7-hexyl-7-(6-pyridin-2-yl-3-pyridinyl)hexadecan-8-ol

C32H52N2O — CID 150679563

IUPAC7-hexyl-7-(6-pyridin-2-yl-3-pyridinyl)hexadecan-8-ol
SMILESCCCCCCCCC(O)C(CCCCCC)(CCCCCC)c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C32H52N2O/c1-4-7-10-13-14-15-21-31(35)32(24-17-11-8-5-2,25-18-12-9-6-3)28-22-23-30(34-27-28)29-20-16-19-26-33-29/h16,19-20,22-23,26-27,31,35H,4-15,17-18,21,24-25H2,1-3H3
InChIKeyJHOZGLCDJGPXPK-UHFFFAOYSA-N
MW480.78 g/mol
LogP9.43
Rot. Bonds20

About 7-hexyl-7-(6-pyridin-2-yl-3-pyridinyl)hexadecan-8-ol

7-hexyl-7-(6-pyridin-2-yl-3-pyridinyl)hexadecan-8-ol (PubChem CID 150679563) has the molecular formula C32H52N2O and a molecular weight of 480.78 g/mol. Its IUPAC name is 7-hexyl-7-(6-pyridin-2-yl-3-pyridinyl)hexadecan-8-ol.

Molecular Properties

Compound Name7-hexyl-7-(6-pyridin-2-yl-3-pyridinyl)hexadecan-8-ol
PubChem CID150679563
Molecular FormulaC32H52N2O
Molecular Weight480.78 g/mol
Exact Mass480.41
IUPAC Name7-hexyl-7-(6-pyridin-2-yl-3-pyridinyl)hexadecan-8-ol
SMILESCCCCCCCCC(O)C(CCCCCC)(CCCCCC)c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C32H52N2O/c1-4-7-10-13-14-15-21-31(35)32(24-17-11-8-5-2,25-18-12-9-6-3)28-22-23-30(34-27-28)29-20-16-19-26-33-29/h16,19-20,22-23,26-27,31,35H,4-15,17-18,21,24-25H2,1-3H3
InChIKeyJHOZGLCDJGPXPK-UHFFFAOYSA-N
XLogP9.43
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.78
LogP ≤ 59.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-hexyl-7-(6-pyridin-2-yl-3-pyridinyl)hexadecan-8-ol?
The IUPAC name of 7-hexyl-7-(6-pyridin-2-yl-3-pyridinyl)hexadecan-8-ol (CID 150679563) is 7-hexyl-7-(6-pyridin-2-yl-3-pyridinyl)hexadecan-8-ol.
What is the SMILES notation for 7-hexyl-7-(6-pyridin-2-yl-3-pyridinyl)hexadecan-8-ol?
The canonical SMILES for 7-hexyl-7-(6-pyridin-2-yl-3-pyridinyl)hexadecan-8-ol is CCCCCCCCC(O)C(CCCCCC)(CCCCCC)c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 7-hexyl-7-(6-pyridin-2-yl-3-pyridinyl)hexadecan-8-ol?
The InChIKey is JHOZGLCDJGPXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H52N2O/c1-4-7-10-13-14-15-21-31(35)32(24-17-11-8-5-2,25-18-12-9-6-3)28-22-23-30(34-27-28)29-20-16-19-26-33-29/h16,19-20,22-23,26-27,31,35H,4-15,17-18,21,24-25H2,1-3H3.
What are the key properties of 7-hexyl-7-(6-pyridin-2-yl-3-pyridinyl)hexadecan-8-ol?
7-hexyl-7-(6-pyridin-2-yl-3-pyridinyl)hexadecan-8-ol has a molecular weight of 480.78 g/mol, XLogP of 9.43, 20 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hexyl-7-(6-pyridin-2-yl-3-pyridinyl)hexadecan-8-ol is sourced from PubChem (CID 150679563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).