1-[6-[(E)-3-hydroxyundec-1-enyl]-2-pyridinyl]pentane-1,5-diol

C21H35NO3 — CID 19966481

IUPAC1-[6-[(E)-3-hydroxyundec-1-enyl]-2-pyridinyl]pentane-1,5-diol
SMILESCCCCCCCCC(O)/C=C/c1cccc(C(O)CCCCO)n1
InChIInChI=1S/C21H35NO3/c1-2-3-4-5-6-7-12-19(24)16-15-18-11-10-13-20(22-18)21(25)14-8-9-17-23/h10-11,13,15-16,19,21,23-25H,2-9,12,14,17H2,1H3/b16-15+
InChIKeyUVUZPXCUYICNRT-FOCLMDBBSA-N
MW349.52 g/mol
LogP4.40
Rot. Bonds14

About 1-[6-[(E)-3-hydroxyundec-1-enyl]-2-pyridinyl]pentane-1,5-diol

1-[6-[(E)-3-hydroxyundec-1-enyl]-2-pyridinyl]pentane-1,5-diol (PubChem CID 19966481) has the molecular formula C21H35NO3 and a molecular weight of 349.52 g/mol. Its IUPAC name is 1-[6-[(E)-3-hydroxyundec-1-enyl]-2-pyridinyl]pentane-1,5-diol.

Molecular Properties

Compound Name1-[6-[(E)-3-hydroxyundec-1-enyl]-2-pyridinyl]pentane-1,5-diol
PubChem CID19966481
Molecular FormulaC21H35NO3
Molecular Weight349.52 g/mol
Exact Mass349.26
IUPAC Name1-[6-[(E)-3-hydroxyundec-1-enyl]-2-pyridinyl]pentane-1,5-diol
SMILESCCCCCCCCC(O)/C=C/c1cccc(C(O)CCCCO)n1
InChIInChI=1S/C21H35NO3/c1-2-3-4-5-6-7-12-19(24)16-15-18-11-10-13-20(22-18)21(25)14-8-9-17-23/h10-11,13,15-16,19,21,23-25H,2-9,12,14,17H2,1H3/b16-15+
InChIKeyUVUZPXCUYICNRT-FOCLMDBBSA-N
XLogP4.40
TPSA73.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-[6-[(E)-6-hydroxyhex-1-enyl]-2-pyridinyl]undec-1-en-3-ol
CID 19897425
1-(6-methyl-2-pyridinyl)undec-1-en-3-ol
CID 71344919
(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
methyl 5-[6-[(E)-3-hydroxyundec-1-enyl]-2-pyridinyl]-4-oxopentanoate
CID 15661801
1-[6-[3-(4-hydroxybutyl)oxiran-2-yl]-2-pyridinyl]undeca-1,5-dien-3-ol
CID 3082938
(E)-octadec-6-ene-1,8-diol
CID 10265918
octacos-10-ene-1,12-diol
CID 86172609
3-[1-[tert-butyl(dimethyl)silyl]oxy-2-[6-(3-hydroxyundec-1-enyl)-2-pyridinyl]ethyl]benzoic acid
CID 72510603
1-(6-bromo-2-pyridinyl)pentan-1-ol
CID 58629907
(Z)-1-(3-bromophenyl)oct-1-en-3-ol
CID 155290532
1-(2-methylpyrimidin-4-yl)tridecan-1-ol
CID 115528032

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(E)-3-hydroxyundec-1-enyl]-2-pyridinyl]pentane-1,5-diol?
The IUPAC name of 1-[6-[(E)-3-hydroxyundec-1-enyl]-2-pyridinyl]pentane-1,5-diol (CID 19966481) is 1-[6-[(E)-3-hydroxyundec-1-enyl]-2-pyridinyl]pentane-1,5-diol.
What is the SMILES notation for 1-[6-[(E)-3-hydroxyundec-1-enyl]-2-pyridinyl]pentane-1,5-diol?
The canonical SMILES for 1-[6-[(E)-3-hydroxyundec-1-enyl]-2-pyridinyl]pentane-1,5-diol is CCCCCCCCC(O)/C=C/c1cccc(C(O)CCCCO)n1.
What is the InChIKey of 1-[6-[(E)-3-hydroxyundec-1-enyl]-2-pyridinyl]pentane-1,5-diol?
The InChIKey is UVUZPXCUYICNRT-FOCLMDBBSA-N. The full InChI is InChI=1S/C21H35NO3/c1-2-3-4-5-6-7-12-19(24)16-15-18-11-10-13-20(22-18)21(25)14-8-9-17-23/h10-11,13,15-16,19,21,23-25H,2-9,12,14,17H2,1H3/b16-15+.
What are the key properties of 1-[6-[(E)-3-hydroxyundec-1-enyl]-2-pyridinyl]pentane-1,5-diol?
1-[6-[(E)-3-hydroxyundec-1-enyl]-2-pyridinyl]pentane-1,5-diol has a molecular weight of 349.52 g/mol, XLogP of 4.40, 14 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(E)-3-hydroxyundec-1-enyl]-2-pyridinyl]pentane-1,5-diol is sourced from PubChem (CID 19966481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).