1-(6-methyl-3-pyridinyl)oct-7-en-1-ol

C14H21NO — CID 107012151

IUPAC1-(6-methyl-3-pyridinyl)oct-7-en-1-ol
SMILESC=CCCCCCC(O)c1ccc(C)nc1
InChIInChI=1S/C14H21NO/c1-3-4-5-6-7-8-14(16)13-10-9-12(2)15-11-13/h3,9-11,14,16H,1,4-8H2,2H3
InChIKeySRGUYOLBKWNQAQ-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.56
Rot. Bonds7

About 1-(6-methyl-3-pyridinyl)oct-7-en-1-ol

1-(6-methyl-3-pyridinyl)oct-7-en-1-ol (PubChem CID 107012151) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(6-methyl-3-pyridinyl)oct-7-en-1-ol.

Molecular Properties

Compound Name1-(6-methyl-3-pyridinyl)oct-7-en-1-ol
PubChem CID107012151
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-(6-methyl-3-pyridinyl)oct-7-en-1-ol
SMILESC=CCCCCCC(O)c1ccc(C)nc1
InChIInChI=1S/C14H21NO/c1-3-4-5-6-7-8-14(16)13-10-9-12(2)15-11-13/h3,9-11,14,16H,1,4-8H2,2H3
InChIKeySRGUYOLBKWNQAQ-UHFFFAOYSA-N
XLogP3.56
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-(6-methyl-3-pyridinyl)oct-7-en-1-amine
CID 107011868
N-methyl-1-(6-methyl-3-pyridinyl)hex-5-en-1-amine
CID 105153170
1-(4-fluorophenyl)oct-7-en-1-ol
CID 107008476
3-ethoxy-1-(6-methyl-3-pyridinyl)propan-1-ol
CID 105096914
1-(3,4-dimethylphenyl)hex-5-en-1-ol
CID 115804443
1-(3-bromo-5-methylphenyl)oct-7-en-1-ol
CID 107012214
3-ethyl-1-(6-methyl-3-pyridinyl)pentan-1-ol
CID 104823060
1-(1,3-thiazol-4-yl)oct-7-en-1-ol
CID 107008661
3-methyl-1-(6-methyl-3-pyridinyl)hexan-1-ol
CID 104823063
1-(1,5-dimethylpyrazol-4-yl)oct-7-en-1-ol
CID 107012235
1-(3,5-dimethylphenyl)hex-5-en-1-ol
CID 115804298
1-(4-iodophenyl)hex-5-en-1-ol
CID 115804427

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-3-pyridinyl)oct-7-en-1-ol?
The IUPAC name of 1-(6-methyl-3-pyridinyl)oct-7-en-1-ol (CID 107012151) is 1-(6-methyl-3-pyridinyl)oct-7-en-1-ol.
What is the SMILES notation for 1-(6-methyl-3-pyridinyl)oct-7-en-1-ol?
The canonical SMILES for 1-(6-methyl-3-pyridinyl)oct-7-en-1-ol is C=CCCCCCC(O)c1ccc(C)nc1.
What is the InChIKey of 1-(6-methyl-3-pyridinyl)oct-7-en-1-ol?
The InChIKey is SRGUYOLBKWNQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-4-5-6-7-8-14(16)13-10-9-12(2)15-11-13/h3,9-11,14,16H,1,4-8H2,2H3.
What are the key properties of 1-(6-methyl-3-pyridinyl)oct-7-en-1-ol?
1-(6-methyl-3-pyridinyl)oct-7-en-1-ol has a molecular weight of 219.33 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-3-pyridinyl)oct-7-en-1-ol is sourced from PubChem (CID 107012151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).