(3E)-4,8-dimethyl-2-trimethylsilyloxynona-3,7-dienenitrile

C14H25NOSi — CID 11311293

IUPAC(3E)-4,8-dimethyl-2-trimethylsilyloxynona-3,7-dienenitrile
SMILESCC(C)=CCC/C(C)=C/C(C#N)O[Si](C)(C)C
InChIInChI=1S/C14H25NOSi/c1-12(2)8-7-9-13(3)10-14(11-15)16-17(4,5)6/h8,10,14H,7,9H2,1-6H3/b13-10+
InChIKeyCWTGYUZZEGZIBX-JLHYYAGUSA-N
MW251.45 g/mol
LogP4.42
Rot. Bonds6

About (3E)-4,8-dimethyl-2-trimethylsilyloxynona-3,7-dienenitrile

(3E)-4,8-dimethyl-2-trimethylsilyloxynona-3,7-dienenitrile (PubChem CID 11311293) has the molecular formula C14H25NOSi and a molecular weight of 251.45 g/mol. Its IUPAC name is (3E)-4,8-dimethyl-2-trimethylsilyloxynona-3,7-dienenitrile.

Molecular Properties

Compound Name(3E)-4,8-dimethyl-2-trimethylsilyloxynona-3,7-dienenitrile
PubChem CID11311293
Molecular FormulaC14H25NOSi
Molecular Weight251.45 g/mol
Exact Mass251.17
IUPAC Name(3E)-4,8-dimethyl-2-trimethylsilyloxynona-3,7-dienenitrile
SMILESCC(C)=CCC/C(C)=C/C(C#N)O[Si](C)(C)C
InChIInChI=1S/C14H25NOSi/c1-12(2)8-7-9-13(3)10-14(11-15)16-17(4,5)6/h8,10,14H,7,9H2,1-6H3/b13-10+
InChIKeyCWTGYUZZEGZIBX-JLHYYAGUSA-N
XLogP4.42
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.45
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-trimethylsilyloxypent-3-enenitrile
CID 5386765
(E,2S)-2-trimethylsilyloxypent-3-enenitrile
CID 11147967
3-Pentenenitrile, 4-methyl-2-(trimethylsilyl)-
CID 554692
(E)-2-triethylsilyloxyhept-3-enenitrile
CID 10857577
(E)-2-[tert-butyl(dimethyl)silyl]oxypent-3-enenitrile
CID 10921789
(3E,5E)-2-trimethylsilyloxyhepta-3,5-dienenitrile
CID 12588987
2-[Tert-butyl(dimethyl)silyl]oxy-4-methylpent-3-enenitrile
CID 13840096
(E)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-3-enenitrile
CID 15526500
(E)-2-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropylbut-3-enenitrile
CID 15526501
(E)-2-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhex-3-enenitrile
CID 15526503
(E,2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-3-enenitrile
CID 15720966
(E)-2-methyl-2-trimethylsilyloxyhept-3-enenitrile
CID 102194873

Frequently Asked Questions

What is the IUPAC name of (3E)-4,8-dimethyl-2-trimethylsilyloxynona-3,7-dienenitrile?
The IUPAC name of (3E)-4,8-dimethyl-2-trimethylsilyloxynona-3,7-dienenitrile (CID 11311293) is (3E)-4,8-dimethyl-2-trimethylsilyloxynona-3,7-dienenitrile.
What is the SMILES notation for (3E)-4,8-dimethyl-2-trimethylsilyloxynona-3,7-dienenitrile?
The canonical SMILES for (3E)-4,8-dimethyl-2-trimethylsilyloxynona-3,7-dienenitrile is CC(C)=CCC/C(C)=C/C(C#N)O[Si](C)(C)C.
What is the InChIKey of (3E)-4,8-dimethyl-2-trimethylsilyloxynona-3,7-dienenitrile?
The InChIKey is CWTGYUZZEGZIBX-JLHYYAGUSA-N. The full InChI is InChI=1S/C14H25NOSi/c1-12(2)8-7-9-13(3)10-14(11-15)16-17(4,5)6/h8,10,14H,7,9H2,1-6H3/b13-10+.
What are the key properties of (3E)-4,8-dimethyl-2-trimethylsilyloxynona-3,7-dienenitrile?
(3E)-4,8-dimethyl-2-trimethylsilyloxynona-3,7-dienenitrile has a molecular weight of 251.45 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4,8-dimethyl-2-trimethylsilyloxynona-3,7-dienenitrile is sourced from PubChem (CID 11311293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).