6-pyridin-2-ylundecan-6-ol

C16H27NO — CID 21415651

IUPAC6-pyridin-2-ylundecan-6-ol
SMILESCCCCCC(O)(CCCCC)c1ccccn1
InChIInChI=1S/C16H27NO/c1-3-5-8-12-16(18,13-9-6-4-2)15-11-7-10-14-17-15/h7,10-11,14,18H,3-6,8-9,12-13H2,1-2H3
InChIKeyWOCGSVOFPDCTHZ-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.43
Rot. Bonds9

About 6-pyridin-2-ylundecan-6-ol

6-pyridin-2-ylundecan-6-ol (PubChem CID 21415651) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 6-pyridin-2-ylundecan-6-ol.

Molecular Properties

Compound Name6-pyridin-2-ylundecan-6-ol
PubChem CID21415651
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name6-pyridin-2-ylundecan-6-ol
SMILESCCCCCC(O)(CCCCC)c1ccccn1
InChIInChI=1S/C16H27NO/c1-3-5-8-12-16(18,13-9-6-4-2)15-11-7-10-14-17-15/h7,10-11,14,18H,3-6,8-9,12-13H2,1-2H3
InChIKeyWOCGSVOFPDCTHZ-UHFFFAOYSA-N
XLogP4.43
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-pyridin-2-yldecan-3-ol
CID 21415641
1-pyridin-2-ylpropane-1,1-diol
CID 18373059
5-methyl-3-pyridin-2-ylhexan-3-ol
CID 146396813
5-phenyltetradecan-5-ol
CID 175223116
5-phenylundecan-5-ol
CID 175525363
(1S)-1-phenyl-1-pyridin-2-ylpropan-1-ol
CID 12522815
2-(4-prop-2-enyloct-1-en-4-yl)pyridine
CID 134857722
2-(2-ethoxy-1,1,1-trifluorohexan-2-yl)pyridine
CID 146396869
(3S)-3-phenyl-6-pyridin-2-ylhexan-3-ol
CID 125487866
2-undecylpyridine
CID 66882765
2-(1,1-difluoropropyl)pyridine
CID 59088790
CID 162723245
CID 162723245

Frequently Asked Questions

What is the IUPAC name of 6-pyridin-2-ylundecan-6-ol?
The IUPAC name of 6-pyridin-2-ylundecan-6-ol (CID 21415651) is 6-pyridin-2-ylundecan-6-ol.
What is the SMILES notation for 6-pyridin-2-ylundecan-6-ol?
The canonical SMILES for 6-pyridin-2-ylundecan-6-ol is CCCCCC(O)(CCCCC)c1ccccn1.
What is the InChIKey of 6-pyridin-2-ylundecan-6-ol?
The InChIKey is WOCGSVOFPDCTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-3-5-8-12-16(18,13-9-6-4-2)15-11-7-10-14-17-15/h7,10-11,14,18H,3-6,8-9,12-13H2,1-2H3.
What are the key properties of 6-pyridin-2-ylundecan-6-ol?
6-pyridin-2-ylundecan-6-ol has a molecular weight of 249.40 g/mol, XLogP of 4.43, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-2-ylundecan-6-ol is sourced from PubChem (CID 21415651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).