(2S,4E,6E,11E)-12-pyridin-3-yldodeca-4,6,11-trien-2-ol

C17H23NO — CID 10355120

IUPAC(2S,4E,6E,11E)-12-pyridin-3-yldodeca-4,6,11-trien-2-ol
SMILESC[C@H](O)C/C=C/C=C/CCC/C=C/c1cccnc1
InChIInChI=1S/C17H23NO/c1-16(19)11-8-6-4-2-3-5-7-9-12-17-13-10-14-18-15-17/h2,4,6,8-10,12-16,19H,3,5,7,11H2,1H3/b4-2+,8-6+,12-9+/t16-/m0/s1
InChIKeyYCYQVMYJYZMCJE-RJFWQOCHSA-N
MW257.38 g/mol
LogP4.15
Rot. Bonds8

About (2S,4E,6E,11E)-12-pyridin-3-yldodeca-4,6,11-trien-2-ol

(2S,4E,6E,11E)-12-pyridin-3-yldodeca-4,6,11-trien-2-ol (PubChem CID 10355120) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is (2S,4E,6E,11E)-12-pyridin-3-yldodeca-4,6,11-trien-2-ol.

Molecular Properties

Compound Name(2S,4E,6E,11E)-12-pyridin-3-yldodeca-4,6,11-trien-2-ol
PubChem CID10355120
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name(2S,4E,6E,11E)-12-pyridin-3-yldodeca-4,6,11-trien-2-ol
SMILESC[C@H](O)C/C=C/C=C/CCC/C=C/c1cccnc1
InChIInChI=1S/C17H23NO/c1-16(19)11-8-6-4-2-3-5-7-9-12-17-13-10-14-18-15-17/h2,4,6,8-10,12-16,19H,3,5,7,11H2,1H3/b4-2+,8-6+,12-9+/t16-/m0/s1
InChIKeyYCYQVMYJYZMCJE-RJFWQOCHSA-N
XLogP4.15
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 7970
CID 7970
CID 7510
CID 7510
CID 10823
CID 10823
CID 10874
CID 10874
CID 17861
CID 17861
CID 11472
CID 11472
CID 78405
CID 78405
CID 72921
CID 72921
CID 14272
CID 14272
CID 70738
CID 70738
CID 7330459
CID 7330459
CID 80515
CID 80515

Frequently Asked Questions

What is the IUPAC name of (2S,4E,6E,11E)-12-pyridin-3-yldodeca-4,6,11-trien-2-ol?
The IUPAC name of (2S,4E,6E,11E)-12-pyridin-3-yldodeca-4,6,11-trien-2-ol (CID 10355120) is (2S,4E,6E,11E)-12-pyridin-3-yldodeca-4,6,11-trien-2-ol.
What is the SMILES notation for (2S,4E,6E,11E)-12-pyridin-3-yldodeca-4,6,11-trien-2-ol?
The canonical SMILES for (2S,4E,6E,11E)-12-pyridin-3-yldodeca-4,6,11-trien-2-ol is C[C@H](O)C/C=C/C=C/CCC/C=C/c1cccnc1.
What is the InChIKey of (2S,4E,6E,11E)-12-pyridin-3-yldodeca-4,6,11-trien-2-ol?
The InChIKey is YCYQVMYJYZMCJE-RJFWQOCHSA-N. The full InChI is InChI=1S/C17H23NO/c1-16(19)11-8-6-4-2-3-5-7-9-12-17-13-10-14-18-15-17/h2,4,6,8-10,12-16,19H,3,5,7,11H2,1H3/b4-2+,8-6+,12-9+/t16-/m0/s1.
What are the key properties of (2S,4E,6E,11E)-12-pyridin-3-yldodeca-4,6,11-trien-2-ol?
(2S,4E,6E,11E)-12-pyridin-3-yldodeca-4,6,11-trien-2-ol has a molecular weight of 257.38 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4E,6E,11E)-12-pyridin-3-yldodeca-4,6,11-trien-2-ol is sourced from PubChem (CID 10355120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).