1-(6-methyl-2-pyridinyl)undec-1-en-3-ol

C17H27NO — CID 71344919

IUPAC1-(6-methyl-2-pyridinyl)undec-1-en-3-ol
SMILESCCCCCCCCC(O)C=Cc1cccc(C)n1
InChIInChI=1S/C17H27NO/c1-3-4-5-6-7-8-12-17(19)14-13-16-11-9-10-15(2)18-16/h9-11,13-14,17,19H,3-8,12H2,1-2H3
InChIKeyCJHRVWHORDDVRJ-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.51
Rot. Bonds9

About 1-(6-methyl-2-pyridinyl)undec-1-en-3-ol

1-(6-methyl-2-pyridinyl)undec-1-en-3-ol (PubChem CID 71344919) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(6-methyl-2-pyridinyl)undec-1-en-3-ol.

Molecular Properties

Compound Name1-(6-methyl-2-pyridinyl)undec-1-en-3-ol
PubChem CID71344919
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(6-methyl-2-pyridinyl)undec-1-en-3-ol
SMILESCCCCCCCCC(O)C=Cc1cccc(C)n1
InChIInChI=1S/C17H27NO/c1-3-4-5-6-7-8-12-17(19)14-13-16-11-9-10-15(2)18-16/h9-11,13-14,17,19H,3-8,12H2,1-2H3
InChIKeyCJHRVWHORDDVRJ-UHFFFAOYSA-N
XLogP4.51
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.51
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

1-[6-[(E)-3-hydroxyundec-1-enyl]-2-pyridinyl]pentane-1,5-diol
CID 19966481
(E)-1-[6-[(E)-6-hydroxyhex-1-enyl]-2-pyridinyl]undec-1-en-3-ol
CID 19897425
methyl 5-[6-[(E)-3-hydroxyundec-1-enyl]-2-pyridinyl]-4-oxopentanoate
CID 15661801
(E)-1-(6-methyl-2-pyridinyl)hept-1-en-3-one
CID 102344407
(Z)-1-(3-bromophenyl)oct-1-en-3-ol
CID 155290532
(5R)-6-[6-[(1Z,3S,5E)-3-hydroxyundeca-1,5-dienyl]-2-pyridinyl]hexane-1,5-diol
CID 92976036
(5R)-6-[6-[(1Z,3S,5Z)-3-hydroxyundeca-1,5-dienyl]-2-pyridinyl]hexane-1,5-diol
CID 6604037
3-[1-[tert-butyl(dimethyl)silyl]oxy-2-[6-(3-hydroxyundec-1-enyl)-2-pyridinyl]ethyl]benzoic acid
CID 72510603
1-(2-methylquinolin-8-yl)hexan-1-ol
CID 102243588
(Z)-undec-2-en-4-ol
CID 14320443
1-(2,6-dimethyl-3-pyridinyl)nonan-1-ol
CID 105085795
2-methyl-3-[(6-methyl-2-pyridinyl)methyl]nonan-2-ol
CID 25214647

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2-pyridinyl)undec-1-en-3-ol?
The IUPAC name of 1-(6-methyl-2-pyridinyl)undec-1-en-3-ol (CID 71344919) is 1-(6-methyl-2-pyridinyl)undec-1-en-3-ol.
What is the SMILES notation for 1-(6-methyl-2-pyridinyl)undec-1-en-3-ol?
The canonical SMILES for 1-(6-methyl-2-pyridinyl)undec-1-en-3-ol is CCCCCCCCC(O)C=Cc1cccc(C)n1.
What is the InChIKey of 1-(6-methyl-2-pyridinyl)undec-1-en-3-ol?
The InChIKey is CJHRVWHORDDVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-4-5-6-7-8-12-17(19)14-13-16-11-9-10-15(2)18-16/h9-11,13-14,17,19H,3-8,12H2,1-2H3.
What are the key properties of 1-(6-methyl-2-pyridinyl)undec-1-en-3-ol?
1-(6-methyl-2-pyridinyl)undec-1-en-3-ol has a molecular weight of 261.41 g/mol, XLogP of 4.51, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2-pyridinyl)undec-1-en-3-ol is sourced from PubChem (CID 71344919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).