(E)-2-(2-chloroethyl)-2-phenyl-6-trimethylsilylhex-5-enenitrile

C17H24ClNSi — CID 13382302

IUPAC(E)-2-(2-chloroethyl)-2-phenyl-6-trimethylsilylhex-5-enenitrile
SMILESC[Si](C)(C)/C=C/CCC(C#N)(CCCl)c1ccccc1
InChIInChI=1S/C17H24ClNSi/c1-20(2,3)14-8-7-11-17(15-19,12-13-18)16-9-5-4-6-10-16/h4-6,8-10,14H,7,11-13H2,1-3H3/b14-8+
InChIKeyIEPRQPIZOILQPV-RIYZIHGNSA-N
MW305.93 g/mol
LogP5.29
Rot. Bonds7

About (E)-2-(2-chloroethyl)-2-phenyl-6-trimethylsilylhex-5-enenitrile

(E)-2-(2-chloroethyl)-2-phenyl-6-trimethylsilylhex-5-enenitrile (PubChem CID 13382302) has the molecular formula C17H24ClNSi and a molecular weight of 305.93 g/mol. Its IUPAC name is (E)-2-(2-chloroethyl)-2-phenyl-6-trimethylsilylhex-5-enenitrile.

Molecular Properties

Compound Name(E)-2-(2-chloroethyl)-2-phenyl-6-trimethylsilylhex-5-enenitrile
PubChem CID13382302
Molecular FormulaC17H24ClNSi
Molecular Weight305.93 g/mol
Exact Mass305.14
IUPAC Name(E)-2-(2-chloroethyl)-2-phenyl-6-trimethylsilylhex-5-enenitrile
SMILESC[Si](C)(C)/C=C/CCC(C#N)(CCCl)c1ccccc1
InChIInChI=1S/C17H24ClNSi/c1-20(2,3)14-8-7-11-17(15-19,12-13-18)16-9-5-4-6-10-16/h4-6,8-10,14H,7,11-13H2,1-3H3/b14-8+
InChIKeyIEPRQPIZOILQPV-RIYZIHGNSA-N
XLogP5.29
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.93
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-2-propylpentanenitrile
CID 12754193
2-butyl-2-phenylhex-5-enenitrile
CID 68827798
4-cyano-4-phenylheptanoic acid
CID 13260830
4-(dimethylamino)-2-[2-(dimethylamino)ethyl]-2-phenylbutanenitrile;hydrochloride
CID 54599725
2-phenyl-2-prop-2-enylpent-4-enenitrile
CID 10442696
2-(2-chloroethyl)-3-oxo-2-phenylbutanenitrile
CID 83261396
(2S,4S)-4-hydroxy-2-phenyl-2-propylpentanenitrile
CID 125465965
2-ethyl-2-phenyl-4-triphenylsilylbutanenitrile
CID 101138929
(2R,4S)-4-hydroxy-2-phenyl-2-propylpentanenitrile
CID 125465966
2-propyl-2-pyridin-3-ylpentanenitrile
CID 80522522
5-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-phenylpentanenitrile
CID 21320523
2,4-dichlorobutan-2-ylbenzene
CID 91712568

Frequently Asked Questions

What is the IUPAC name of (E)-2-(2-chloroethyl)-2-phenyl-6-trimethylsilylhex-5-enenitrile?
The IUPAC name of (E)-2-(2-chloroethyl)-2-phenyl-6-trimethylsilylhex-5-enenitrile (CID 13382302) is (E)-2-(2-chloroethyl)-2-phenyl-6-trimethylsilylhex-5-enenitrile.
What is the SMILES notation for (E)-2-(2-chloroethyl)-2-phenyl-6-trimethylsilylhex-5-enenitrile?
The canonical SMILES for (E)-2-(2-chloroethyl)-2-phenyl-6-trimethylsilylhex-5-enenitrile is C[Si](C)(C)/C=C/CCC(C#N)(CCCl)c1ccccc1.
What is the InChIKey of (E)-2-(2-chloroethyl)-2-phenyl-6-trimethylsilylhex-5-enenitrile?
The InChIKey is IEPRQPIZOILQPV-RIYZIHGNSA-N. The full InChI is InChI=1S/C17H24ClNSi/c1-20(2,3)14-8-7-11-17(15-19,12-13-18)16-9-5-4-6-10-16/h4-6,8-10,14H,7,11-13H2,1-3H3/b14-8+.
What are the key properties of (E)-2-(2-chloroethyl)-2-phenyl-6-trimethylsilylhex-5-enenitrile?
(E)-2-(2-chloroethyl)-2-phenyl-6-trimethylsilylhex-5-enenitrile has a molecular weight of 305.93 g/mol, XLogP of 5.29, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(2-chloroethyl)-2-phenyl-6-trimethylsilylhex-5-enenitrile is sourced from PubChem (CID 13382302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).