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

C17H25NO — CID 10061128

IUPAC(2S,4E,6E)-12-pyridin-3-yldodeca-4,6-dien-2-ol
SMILESC[C@H](O)C/C=C/C=C/CCCCCc1cccnc1
InChIInChI=1S/C17H25NO/c1-16(19)11-8-6-4-2-3-5-7-9-12-17-13-10-14-18-15-17/h2,4,6,8,10,13-16,19H,3,5,7,9,11-12H2,1H3/b4-2+,8-6+/t16-/m0/s1
InChIKeyKVTVYOVSAHMPHK-LOHDTLGXSA-N
MW259.39 g/mol
LogP4.07
Rot. Bonds9

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

(2S,4E,6E)-12-pyridin-3-yldodeca-4,6-dien-2-ol (PubChem CID 10061128) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is (2S,4E,6E)-12-pyridin-3-yldodeca-4,6-dien-2-ol.

Molecular Properties

Compound Name(2S,4E,6E)-12-pyridin-3-yldodeca-4,6-dien-2-ol
PubChem CID10061128
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name(2S,4E,6E)-12-pyridin-3-yldodeca-4,6-dien-2-ol
SMILESC[C@H](O)C/C=C/C=C/CCCCCc1cccnc1
InChIInChI=1S/C17H25NO/c1-16(19)11-8-6-4-2-3-5-7-9-12-17-13-10-14-18-15-17/h2,4,6,8,10,13-16,19H,3,5,7,9,11-12H2,1H3/b4-2+,8-6+/t16-/m0/s1
InChIKeyKVTVYOVSAHMPHK-LOHDTLGXSA-N
XLogP4.07
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.07
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

(E)-12-pyridin-3-yldodec-3-en-1-ol
CID 11043541
3-[(E)-7-iodohept-6-enyl]pyridine
CID 11833526
3-(14-methylpentadecyl)pyridine
CID 19697272
(2S)-5-pyridin-3-ylpentan-2-ol
CID 10899042
3-(5-methylhexyl)pyridine
CID 54316004
(Z)-18-pyridin-3-yloctadec-9-enamide
CID 122703819
(Z)-N-methoxy-N-methyl-14-pyridin-3-yltetradec-9-en-1-amine
CID 23426295
8-pyridin-3-yloctan-1-ol
CID 11830623
ethane;4-pyridin-3-ylbutan-1-ol
CID 177219832
N-(14-pyridin-3-yltetradec-11-enylidene)hydroxylamine
CID 85169050
(2S)-12-pyridin-3-yldodeca-5,8,10-trien-2-ol
CID 162940035
3-(9-methyldodecyl)pyridine
CID 91204403

Frequently Asked Questions

What is the IUPAC name of (2S,4E,6E)-12-pyridin-3-yldodeca-4,6-dien-2-ol?
The IUPAC name of (2S,4E,6E)-12-pyridin-3-yldodeca-4,6-dien-2-ol (CID 10061128) is (2S,4E,6E)-12-pyridin-3-yldodeca-4,6-dien-2-ol.
What is the SMILES notation for (2S,4E,6E)-12-pyridin-3-yldodeca-4,6-dien-2-ol?
The canonical SMILES for (2S,4E,6E)-12-pyridin-3-yldodeca-4,6-dien-2-ol is C[C@H](O)C/C=C/C=C/CCCCCc1cccnc1.
What is the InChIKey of (2S,4E,6E)-12-pyridin-3-yldodeca-4,6-dien-2-ol?
The InChIKey is KVTVYOVSAHMPHK-LOHDTLGXSA-N. The full InChI is InChI=1S/C17H25NO/c1-16(19)11-8-6-4-2-3-5-7-9-12-17-13-10-14-18-15-17/h2,4,6,8,10,13-16,19H,3,5,7,9,11-12H2,1H3/b4-2+,8-6+/t16-/m0/s1.
What are the key properties of (2S,4E,6E)-12-pyridin-3-yldodeca-4,6-dien-2-ol?
(2S,4E,6E)-12-pyridin-3-yldodeca-4,6-dien-2-ol has a molecular weight of 259.39 g/mol, XLogP of 4.07, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4E,6E)-12-pyridin-3-yldodeca-4,6-dien-2-ol is sourced from PubChem (CID 10061128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).