3-[(Z)-9-(oxan-2-yloxy)non-3-enyl]pyridine

C19H29NO2 — CID 10851984

IUPAC3-[(Z)-9-(oxan-2-yloxy)non-3-enyl]pyridine
SMILESC(=C\CCc1cccnc1)\CCCCCOC1CCCCO1
InChIInChI=1S/C19H29NO2/c1(2-4-6-11-18-12-10-14-20-17-18)3-5-8-15-21-19-13-7-9-16-22-19/h2,4,10,12,14,17,19H,1,3,5-9,11,13,15-16H2/b4-2-
InChIKeyLAHAXZJZTLFFHO-RQOWECAXSA-N
MW303.45 g/mol
LogP4.67
Rot. Bonds10

About 3-[(Z)-9-(oxan-2-yloxy)non-3-enyl]pyridine

3-[(Z)-9-(oxan-2-yloxy)non-3-enyl]pyridine (PubChem CID 10851984) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 3-[(Z)-9-(oxan-2-yloxy)non-3-enyl]pyridine.

Molecular Properties

Compound Name3-[(Z)-9-(oxan-2-yloxy)non-3-enyl]pyridine
PubChem CID10851984
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name3-[(Z)-9-(oxan-2-yloxy)non-3-enyl]pyridine
SMILESC(=C\CCc1cccnc1)\CCCCCOC1CCCCO1
InChIInChI=1S/C19H29NO2/c1(2-4-6-11-18-12-10-14-20-17-18)3-5-8-15-21-19-13-7-9-16-22-19/h2,4,10,12,14,17,19H,1,3,5-9,11,13,15-16H2/b4-2-
InChIKeyLAHAXZJZTLFFHO-RQOWECAXSA-N
XLogP4.67
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 15649194
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CID 70506066

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-9-(oxan-2-yloxy)non-3-enyl]pyridine?
The IUPAC name of 3-[(Z)-9-(oxan-2-yloxy)non-3-enyl]pyridine (CID 10851984) is 3-[(Z)-9-(oxan-2-yloxy)non-3-enyl]pyridine.
What is the SMILES notation for 3-[(Z)-9-(oxan-2-yloxy)non-3-enyl]pyridine?
The canonical SMILES for 3-[(Z)-9-(oxan-2-yloxy)non-3-enyl]pyridine is C(=C\CCc1cccnc1)\CCCCCOC1CCCCO1.
What is the InChIKey of 3-[(Z)-9-(oxan-2-yloxy)non-3-enyl]pyridine?
The InChIKey is LAHAXZJZTLFFHO-RQOWECAXSA-N. The full InChI is InChI=1S/C19H29NO2/c1(2-4-6-11-18-12-10-14-20-17-18)3-5-8-15-21-19-13-7-9-16-22-19/h2,4,10,12,14,17,19H,1,3,5-9,11,13,15-16H2/b4-2-.
What are the key properties of 3-[(Z)-9-(oxan-2-yloxy)non-3-enyl]pyridine?
3-[(Z)-9-(oxan-2-yloxy)non-3-enyl]pyridine has a molecular weight of 303.45 g/mol, XLogP of 4.67, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-9-(oxan-2-yloxy)non-3-enyl]pyridine is sourced from PubChem (CID 10851984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).