(E)-1-[6-[(E)-6-hydroxyhex-1-enyl]-2-pyridinyl]undec-1-en-3-ol

C22H35NO2 — CID 19897425

IUPAC(E)-1-[6-[(E)-6-hydroxyhex-1-enyl]-2-pyridinyl]undec-1-en-3-ol
SMILESCCCCCCCCC(O)/C=C/c1cccc(/C=C/CCCCO)n1
InChIInChI=1S/C22H35NO2/c1-2-3-4-5-6-10-16-22(25)18-17-21-15-12-14-20(23-21)13-9-7-8-11-19-24/h9,12-15,17-18,22,24-25H,2-8,10-11,16,19H2,1H3/b13-9+,18-17+
InChIKeyNZJNPVPCLDIYDS-OEMZLLKESA-N
MW345.53 g/mol
LogP5.38
Rot. Bonds14

About (E)-1-[6-[(E)-6-hydroxyhex-1-enyl]-2-pyridinyl]undec-1-en-3-ol

(E)-1-[6-[(E)-6-hydroxyhex-1-enyl]-2-pyridinyl]undec-1-en-3-ol (PubChem CID 19897425) has the molecular formula C22H35NO2 and a molecular weight of 345.53 g/mol. Its IUPAC name is (E)-1-[6-[(E)-6-hydroxyhex-1-enyl]-2-pyridinyl]undec-1-en-3-ol.

Molecular Properties

Compound Name(E)-1-[6-[(E)-6-hydroxyhex-1-enyl]-2-pyridinyl]undec-1-en-3-ol
PubChem CID19897425
Molecular FormulaC22H35NO2
Molecular Weight345.53 g/mol
Exact Mass345.27
IUPAC Name(E)-1-[6-[(E)-6-hydroxyhex-1-enyl]-2-pyridinyl]undec-1-en-3-ol
SMILESCCCCCCCCC(O)/C=C/c1cccc(/C=C/CCCCO)n1
InChIInChI=1S/C22H35NO2/c1-2-3-4-5-6-10-16-22(25)18-17-21-15-12-14-20(23-21)13-9-7-8-11-19-24/h9,12-15,17-18,22,24-25H,2-8,10-11,16,19H2,1H3/b13-9+,18-17+
InChIKeyNZJNPVPCLDIYDS-OEMZLLKESA-N
XLogP5.38
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.53
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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
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
octacos-10-ene-1,12-diol
CID 86172609
(E)-octadec-6-ene-1,8-diol
CID 10265918
1-[6-[3-(4-hydroxybutyl)oxiran-2-yl]-2-pyridinyl]undeca-1,5-dien-3-ol
CID 3082938
(16R)-icosa-5,14-diene-1,16-diol
CID 91200816
henicos-7-en-6-ol
CID 91409967
methyl 5-[6-[(E)-3-hydroxyundec-1-enyl]-2-pyridinyl]-4-oxopentanoate
CID 15661801
icosa-7,15-diene-6,9-diol
CID 57175111
(5Z,8Z,11Z,14Z,16R)-icosa-5,8,11,14-tetraene-1,16-diol
CID 59098331

Frequently Asked Questions

What is the IUPAC name of (E)-1-[6-[(E)-6-hydroxyhex-1-enyl]-2-pyridinyl]undec-1-en-3-ol?
The IUPAC name of (E)-1-[6-[(E)-6-hydroxyhex-1-enyl]-2-pyridinyl]undec-1-en-3-ol (CID 19897425) is (E)-1-[6-[(E)-6-hydroxyhex-1-enyl]-2-pyridinyl]undec-1-en-3-ol.
What is the SMILES notation for (E)-1-[6-[(E)-6-hydroxyhex-1-enyl]-2-pyridinyl]undec-1-en-3-ol?
The canonical SMILES for (E)-1-[6-[(E)-6-hydroxyhex-1-enyl]-2-pyridinyl]undec-1-en-3-ol is CCCCCCCCC(O)/C=C/c1cccc(/C=C/CCCCO)n1.
What is the InChIKey of (E)-1-[6-[(E)-6-hydroxyhex-1-enyl]-2-pyridinyl]undec-1-en-3-ol?
The InChIKey is NZJNPVPCLDIYDS-OEMZLLKESA-N. The full InChI is InChI=1S/C22H35NO2/c1-2-3-4-5-6-10-16-22(25)18-17-21-15-12-14-20(23-21)13-9-7-8-11-19-24/h9,12-15,17-18,22,24-25H,2-8,10-11,16,19H2,1H3/b13-9+,18-17+.
What are the key properties of (E)-1-[6-[(E)-6-hydroxyhex-1-enyl]-2-pyridinyl]undec-1-en-3-ol?
(E)-1-[6-[(E)-6-hydroxyhex-1-enyl]-2-pyridinyl]undec-1-en-3-ol has a molecular weight of 345.53 g/mol, XLogP of 5.38, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[6-[(E)-6-hydroxyhex-1-enyl]-2-pyridinyl]undec-1-en-3-ol is sourced from PubChem (CID 19897425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).