(2S)-12-pyridin-3-yldodeca-5,8,10-trien-2-ol

C17H23NO — CID 162940035

IUPAC(2S)-12-pyridin-3-yldodeca-5,8,10-trien-2-ol
SMILESC[C@H](O)CCC=CCC=CC=CCc1cccnc1
InChIInChI=1S/C17H23NO/c1-16(19)11-8-6-4-2-3-5-7-9-12-17-13-10-14-18-15-17/h3-7,9-10,13-16,19H,2,8,11-12H2,1H3/t16-/m0/s1
InChIKeyRPLHIGRAZKLWET-INIZCTEOSA-N
MW257.38 g/mol
LogP3.84
Rot. Bonds8

About (2S)-12-pyridin-3-yldodeca-5,8,10-trien-2-ol

(2S)-12-pyridin-3-yldodeca-5,8,10-trien-2-ol (PubChem CID 162940035) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is (2S)-12-pyridin-3-yldodeca-5,8,10-trien-2-ol.

Molecular Properties

Compound Name(2S)-12-pyridin-3-yldodeca-5,8,10-trien-2-ol
PubChem CID162940035
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name(2S)-12-pyridin-3-yldodeca-5,8,10-trien-2-ol
SMILESC[C@H](O)CCC=CCC=CC=CCc1cccnc1
InChIInChI=1S/C17H23NO/c1-16(19)11-8-6-4-2-3-5-7-9-12-17-13-10-14-18-15-17/h3-7,9-10,13-16,19H,2,8,11-12H2,1H3/t16-/m0/s1
InChIKeyRPLHIGRAZKLWET-INIZCTEOSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-5-pyridin-3-ylpentan-2-ol
CID 10899042
(2S,4E,6E)-12-pyridin-3-yldodeca-4,6-dien-2-ol
CID 10061128
3-pyridin-3-ylprop-1-en-1-ol;hydrochloride
CID 67682923
(E)-N-ethyl-5-pyridin-3-ylpent-3-en-1-amine
CID 104737312
1-pyridin-3-ylpentan-2-ol
CID 62553061
1-(3-pyridin-3-ylprop-1-enylideneamino)oxypropan-2-ol
CID 174398310
4-methyl-1-pyridin-3-ylpentan-2-one
CID 12999593
4-propan-2-yloxy-1-pyridin-3-ylbutan-2-ol
CID 114998518
3-[(E)-3-phenylprop-2-enyl]pyridine
CID 13437688
3-(5-methylhexyl)pyridine
CID 54316004
3-(14-methylpentadecyl)pyridine
CID 19697272
1-[4-(2-methylpropyl)phenyl]-2-pyridin-3-ylethanol
CID 104735785

Frequently Asked Questions

What is the IUPAC name of (2S)-12-pyridin-3-yldodeca-5,8,10-trien-2-ol?
The IUPAC name of (2S)-12-pyridin-3-yldodeca-5,8,10-trien-2-ol (CID 162940035) is (2S)-12-pyridin-3-yldodeca-5,8,10-trien-2-ol.
What is the SMILES notation for (2S)-12-pyridin-3-yldodeca-5,8,10-trien-2-ol?
The canonical SMILES for (2S)-12-pyridin-3-yldodeca-5,8,10-trien-2-ol is C[C@H](O)CCC=CCC=CC=CCc1cccnc1.
What is the InChIKey of (2S)-12-pyridin-3-yldodeca-5,8,10-trien-2-ol?
The InChIKey is RPLHIGRAZKLWET-INIZCTEOSA-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/h3-7,9-10,13-16,19H,2,8,11-12H2,1H3/t16-/m0/s1.
What are the key properties of (2S)-12-pyridin-3-yldodeca-5,8,10-trien-2-ol?
(2S)-12-pyridin-3-yldodeca-5,8,10-trien-2-ol has a molecular weight of 257.38 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-12-pyridin-3-yldodeca-5,8,10-trien-2-ol is sourced from PubChem (CID 162940035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).