(3E)-4,7-dimethyl-2-trimethylsilyloxyocta-3,7-dienenitrile

C13H23NOSi — CID 11402150

IUPAC(3E)-4,7-dimethyl-2-trimethylsilyloxyocta-3,7-dienenitrile
SMILESC=C(C)CC/C(C)=C/C(C#N)O[Si](C)(C)C
InChIInChI=1S/C13H23NOSi/c1-11(2)7-8-12(3)9-13(10-14)15-16(4,5)6/h9,13H,1,7-8H2,2-6H3/b12-9+
InChIKeyIJYKDWCUGBTXHL-FMIVXFBMSA-N
MW237.42 g/mol
LogP4.03
Rot. Bonds6

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

(3E)-4,7-dimethyl-2-trimethylsilyloxyocta-3,7-dienenitrile (PubChem CID 11402150) has the molecular formula C13H23NOSi and a molecular weight of 237.42 g/mol. Its IUPAC name is (3E)-4,7-dimethyl-2-trimethylsilyloxyocta-3,7-dienenitrile.

Molecular Properties

Compound Name(3E)-4,7-dimethyl-2-trimethylsilyloxyocta-3,7-dienenitrile
PubChem CID11402150
Molecular FormulaC13H23NOSi
Molecular Weight237.42 g/mol
Exact Mass237.15
IUPAC Name(3E)-4,7-dimethyl-2-trimethylsilyloxyocta-3,7-dienenitrile
SMILESC=C(C)CC/C(C)=C/C(C#N)O[Si](C)(C)C
InChIInChI=1S/C13H23NOSi/c1-11(2)7-8-12(3)9-13(10-14)15-16(4,5)6/h9,13H,1,7-8H2,2-6H3/b12-9+
InChIKeyIJYKDWCUGBTXHL-FMIVXFBMSA-N
XLogP4.03
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.42
LogP ≤ 54.03
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
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-5,5-dimethylhex-3-enenitrile
CID 15526503
(E,2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-3-enenitrile
CID 15720966
(Z)-3-methyl-2-trimethylsilyloxypent-3-enenitrile
CID 134894320
3,4-Dimethyl-2-trimethylsilyloxypent-3-enenitrile
CID 134894378
(Z)-2-trimethylsilyloxypent-3-enenitrile
CID 134894396

Frequently Asked Questions

What is the IUPAC name of (3E)-4,7-dimethyl-2-trimethylsilyloxyocta-3,7-dienenitrile?
The IUPAC name of (3E)-4,7-dimethyl-2-trimethylsilyloxyocta-3,7-dienenitrile (CID 11402150) is (3E)-4,7-dimethyl-2-trimethylsilyloxyocta-3,7-dienenitrile.
What is the SMILES notation for (3E)-4,7-dimethyl-2-trimethylsilyloxyocta-3,7-dienenitrile?
The canonical SMILES for (3E)-4,7-dimethyl-2-trimethylsilyloxyocta-3,7-dienenitrile is C=C(C)CC/C(C)=C/C(C#N)O[Si](C)(C)C.
What is the InChIKey of (3E)-4,7-dimethyl-2-trimethylsilyloxyocta-3,7-dienenitrile?
The InChIKey is IJYKDWCUGBTXHL-FMIVXFBMSA-N. The full InChI is InChI=1S/C13H23NOSi/c1-11(2)7-8-12(3)9-13(10-14)15-16(4,5)6/h9,13H,1,7-8H2,2-6H3/b12-9+.
What are the key properties of (3E)-4,7-dimethyl-2-trimethylsilyloxyocta-3,7-dienenitrile?
(3E)-4,7-dimethyl-2-trimethylsilyloxyocta-3,7-dienenitrile has a molecular weight of 237.42 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4,7-dimethyl-2-trimethylsilyloxyocta-3,7-dienenitrile is sourced from PubChem (CID 11402150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).