19-methoxynonadeca-1,3,5,7,9,11,13,15,17-nonayne

C20H6O — CID 122578573

IUPAC19-methoxynonadeca-1,3,5,7,9,11,13,15,17-nonayne
SMILESC#CC#CC#CC#CC#CC#CC#CC#CC#CCOC
InChIInChI=1S/C20H6O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-2/h1H,20H2,2H3
InChIKeyXIQIAILHIKPPIO-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.29
Rot. Bonds1

About 19-methoxynonadeca-1,3,5,7,9,11,13,15,17-nonayne

19-methoxynonadeca-1,3,5,7,9,11,13,15,17-nonayne (PubChem CID 122578573) has the molecular formula C20H6O and a molecular weight of 262.27 g/mol. Its IUPAC name is 19-methoxynonadeca-1,3,5,7,9,11,13,15,17-nonayne.

Molecular Properties

Compound Name19-methoxynonadeca-1,3,5,7,9,11,13,15,17-nonayne
PubChem CID122578573
Molecular FormulaC20H6O
Molecular Weight262.27 g/mol
Exact Mass262.04
IUPAC Name19-methoxynonadeca-1,3,5,7,9,11,13,15,17-nonayne
SMILESC#CC#CC#CC#CC#CC#CC#CC#CC#CCOC
InChIInChI=1S/C20H6O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-2/h1H,20H2,2H3
InChIKeyXIQIAILHIKPPIO-UHFFFAOYSA-N
XLogP0.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 19-methoxynonadeca-1,3,5,7,9,11,13,15,17-nonayne?
The IUPAC name of 19-methoxynonadeca-1,3,5,7,9,11,13,15,17-nonayne (CID 122578573) is 19-methoxynonadeca-1,3,5,7,9,11,13,15,17-nonayne.
What is the SMILES notation for 19-methoxynonadeca-1,3,5,7,9,11,13,15,17-nonayne?
The canonical SMILES for 19-methoxynonadeca-1,3,5,7,9,11,13,15,17-nonayne is C#CC#CC#CC#CC#CC#CC#CC#CC#CCOC.
What is the InChIKey of 19-methoxynonadeca-1,3,5,7,9,11,13,15,17-nonayne?
The InChIKey is XIQIAILHIKPPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H6O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-2/h1H,20H2,2H3.
What are the key properties of 19-methoxynonadeca-1,3,5,7,9,11,13,15,17-nonayne?
19-methoxynonadeca-1,3,5,7,9,11,13,15,17-nonayne has a molecular weight of 262.27 g/mol, XLogP of 0.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 19-methoxynonadeca-1,3,5,7,9,11,13,15,17-nonayne is sourced from PubChem (CID 122578573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).