nonadeca-2,4,6,8,10,12,14,16,18-nonaynenitrile

C19HN — CID 59741367

IUPACnonadeca-2,4,6,8,10,12,14,16,18-nonaynenitrile
SMILESC#CC#CC#CC#CC#CC#CC#CC#CC#CC#N
InChIInChI=1S/C19HN/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20/h1H
InChIKeyFBGCTFWBXKSHNK-UHFFFAOYSA-N
MW243.22 g/mol
LogP0.17
Rot. Bonds

About nonadeca-2,4,6,8,10,12,14,16,18-nonaynenitrile

nonadeca-2,4,6,8,10,12,14,16,18-nonaynenitrile (PubChem CID 59741367) has the molecular formula C19HN and a molecular weight of 243.22 g/mol. Its IUPAC name is nonadeca-2,4,6,8,10,12,14,16,18-nonaynenitrile.

Molecular Properties

Compound Namenonadeca-2,4,6,8,10,12,14,16,18-nonaynenitrile
PubChem CID59741367
Molecular FormulaC19HN
Molecular Weight243.22 g/mol
Exact Mass243.01
IUPAC Namenonadeca-2,4,6,8,10,12,14,16,18-nonaynenitrile
SMILESC#CC#CC#CC#CC#CC#CC#CC#CC#CC#N
InChIInChI=1S/C19HN/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20/h1H
InChIKeyFBGCTFWBXKSHNK-UHFFFAOYSA-N
XLogP0.17
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 50.17
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 nonadeca-2,4,6,8,10,12,14,16,18-nonaynenitrile?
The IUPAC name of nonadeca-2,4,6,8,10,12,14,16,18-nonaynenitrile (CID 59741367) is nonadeca-2,4,6,8,10,12,14,16,18-nonaynenitrile.
What is the SMILES notation for nonadeca-2,4,6,8,10,12,14,16,18-nonaynenitrile?
The canonical SMILES for nonadeca-2,4,6,8,10,12,14,16,18-nonaynenitrile is C#CC#CC#CC#CC#CC#CC#CC#CC#CC#N.
What is the InChIKey of nonadeca-2,4,6,8,10,12,14,16,18-nonaynenitrile?
The InChIKey is FBGCTFWBXKSHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19HN/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20/h1H.
What are the key properties of nonadeca-2,4,6,8,10,12,14,16,18-nonaynenitrile?
nonadeca-2,4,6,8,10,12,14,16,18-nonaynenitrile has a molecular weight of 243.22 g/mol, XLogP of 0.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nonadeca-2,4,6,8,10,12,14,16,18-nonaynenitrile is sourced from PubChem (CID 59741367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).