hexadeca-6,8,10-triynedinitrile

C16H16N2 — CID 171119204

IUPAChexadeca-6,8,10-triynedinitrile
SMILESN#CCCCCC#CC#CC#CCCCCC#N
InChIInChI=1S/C16H16N2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18/h7-14H2
InChIKeyNUFBVQIZVSDVFZ-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.16
Rot. Bonds6

About hexadeca-6,8,10-triynedinitrile

hexadeca-6,8,10-triynedinitrile (PubChem CID 171119204) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is hexadeca-6,8,10-triynedinitrile.

Molecular Properties

Compound Namehexadeca-6,8,10-triynedinitrile
PubChem CID171119204
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Namehexadeca-6,8,10-triynedinitrile
SMILESN#CCCCCC#CC#CC#CCCCCC#N
InChIInChI=1S/C16H16N2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18/h7-14H2
InChIKeyNUFBVQIZVSDVFZ-UHFFFAOYSA-N
XLogP3.16
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

henicosanedinitrile
CID 87345062
henicos-10-ynenitrile;hydrochloride
CID 142049012
tetraconta-15,17,19,21,23,25-hexayne
CID 71342927
7-(2-cyanoethyl)tridecanedinitrile
CID 122418945
1,14-dibromotetradeca-2,4,10,12-tetrayne
CID 11186839
5-silylpentanenitrile
CID 173242016
undecanenitrile
CID 16722
4-bromobutanenitrile;5-bromopentanenitrile
CID 88806001
12-silyldodecanenitrile
CID 150980762
octadecanenitrile
CID 12532
ethane;5-hydroxypentanenitrile
CID 144859936
3-(cyanomethyl)octanedinitrile
CID 122418868

Frequently Asked Questions

What is the IUPAC name of hexadeca-6,8,10-triynedinitrile?
The IUPAC name of hexadeca-6,8,10-triynedinitrile (CID 171119204) is hexadeca-6,8,10-triynedinitrile.
What is the SMILES notation for hexadeca-6,8,10-triynedinitrile?
The canonical SMILES for hexadeca-6,8,10-triynedinitrile is N#CCCCCC#CC#CC#CCCCCC#N.
What is the InChIKey of hexadeca-6,8,10-triynedinitrile?
The InChIKey is NUFBVQIZVSDVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18/h7-14H2.
What are the key properties of hexadeca-6,8,10-triynedinitrile?
hexadeca-6,8,10-triynedinitrile has a molecular weight of 236.32 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexadeca-6,8,10-triynedinitrile is sourced from PubChem (CID 171119204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).