2-tetradeca-4,9-diynylpropanedinitrile

C17H22N2 — CID 10923092

IUPAC2-tetradeca-4,9-diynylpropanedinitrile
SMILESCCCCC#CCCCC#CCCCC(C#N)C#N
InChIInChI=1S/C17H22N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(15-18)16-19/h17H,2-4,7-9,12-14H2,1H3
InChIKeyIOWIWXFEUZQSCE-UHFFFAOYSA-N
MW254.38 g/mol
LogP4.19
Rot. Bonds7

About 2-tetradeca-4,9-diynylpropanedinitrile

2-tetradeca-4,9-diynylpropanedinitrile (PubChem CID 10923092) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-tetradeca-4,9-diynylpropanedinitrile.

Molecular Properties

Compound Name2-tetradeca-4,9-diynylpropanedinitrile
PubChem CID10923092
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name2-tetradeca-4,9-diynylpropanedinitrile
SMILESCCCCC#CCCCC#CCCCC(C#N)C#N
InChIInChI=1S/C17H22N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(15-18)16-19/h17H,2-4,7-9,12-14H2,1H3
InChIKeyIOWIWXFEUZQSCE-UHFFFAOYSA-N
XLogP4.19
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 54.19
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

tetradeca-4,9-diyne
CID 173328648
pentadeca-5,10-diyne
CID 15530767
dodeca-4,7-diyne
CID 173074460
henicos-10-ynenitrile;hydrochloride
CID 142049012
1,3-dithiole;2-pentylpropanedinitrile
CID 175516708
9-methyltridec-5-yne
CID 22224124
nonacos-4-yne
CID 22223961
methane;bis(oct-3-yne)
CID 159540057
pentacos-4-yne
CID 22223888
11-propylicos-5-yne
CID 22224119
1-chloropentadeca-5,10-diyne
CID 560942
pentadeca-5,10-diyn-1-ol
CID 560933

Frequently Asked Questions

What is the IUPAC name of 2-tetradeca-4,9-diynylpropanedinitrile?
The IUPAC name of 2-tetradeca-4,9-diynylpropanedinitrile (CID 10923092) is 2-tetradeca-4,9-diynylpropanedinitrile.
What is the SMILES notation for 2-tetradeca-4,9-diynylpropanedinitrile?
The canonical SMILES for 2-tetradeca-4,9-diynylpropanedinitrile is CCCCC#CCCCC#CCCCC(C#N)C#N.
What is the InChIKey of 2-tetradeca-4,9-diynylpropanedinitrile?
The InChIKey is IOWIWXFEUZQSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(15-18)16-19/h17H,2-4,7-9,12-14H2,1H3.
What are the key properties of 2-tetradeca-4,9-diynylpropanedinitrile?
2-tetradeca-4,9-diynylpropanedinitrile has a molecular weight of 254.38 g/mol, XLogP of 4.19, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tetradeca-4,9-diynylpropanedinitrile is sourced from PubChem (CID 10923092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).