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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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).