(3E,5E)-2-trimethylsilyloxyhepta-3,5-dienenitrile

C10H17NOSi — CID 12588987

IUPAC(3E,5E)-2-trimethylsilyloxyhepta-3,5-dienenitrile
SMILESC/C=C/C=C/C(C#N)O[Si](C)(C)C
InChIInChI=1S/C10H17NOSi/c1-5-6-7-8-10(9-11)12-13(2,3)4/h5-8,10H,1-4H3/b6-5+,8-7+
InChIKeyXETHDOWMTYGPLA-BSWSSELBSA-N
MW195.34 g/mol
LogP2.86
Rot. Bonds4

About (3E,5E)-2-trimethylsilyloxyhepta-3,5-dienenitrile

(3E,5E)-2-trimethylsilyloxyhepta-3,5-dienenitrile (PubChem CID 12588987) has the molecular formula C10H17NOSi and a molecular weight of 195.34 g/mol. Its IUPAC name is (3E,5E)-2-trimethylsilyloxyhepta-3,5-dienenitrile.

Molecular Properties

Compound Name(3E,5E)-2-trimethylsilyloxyhepta-3,5-dienenitrile
PubChem CID12588987
Molecular FormulaC10H17NOSi
Molecular Weight195.34 g/mol
Exact Mass195.11
IUPAC Name(3E,5E)-2-trimethylsilyloxyhepta-3,5-dienenitrile
SMILESC/C=C/C=C/C(C#N)O[Si](C)(C)C
InChIInChI=1S/C10H17NOSi/c1-5-6-7-8-10(9-11)12-13(2,3)4/h5-8,10H,1-4H3/b6-5+,8-7+
InChIKeyXETHDOWMTYGPLA-BSWSSELBSA-N
XLogP2.86
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.34
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', '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
(Z)-2-trimethylsilyloxypent-3-enenitrile
CID 134894396
(E,2R)-3-methyl-2-trimethylsilyloxypent-3-enenitrile
CID 134997049

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-2-trimethylsilyloxyhepta-3,5-dienenitrile?
The IUPAC name of (3E,5E)-2-trimethylsilyloxyhepta-3,5-dienenitrile (CID 12588987) is (3E,5E)-2-trimethylsilyloxyhepta-3,5-dienenitrile.
What is the SMILES notation for (3E,5E)-2-trimethylsilyloxyhepta-3,5-dienenitrile?
The canonical SMILES for (3E,5E)-2-trimethylsilyloxyhepta-3,5-dienenitrile is C/C=C/C=C/C(C#N)O[Si](C)(C)C.
What is the InChIKey of (3E,5E)-2-trimethylsilyloxyhepta-3,5-dienenitrile?
The InChIKey is XETHDOWMTYGPLA-BSWSSELBSA-N. The full InChI is InChI=1S/C10H17NOSi/c1-5-6-7-8-10(9-11)12-13(2,3)4/h5-8,10H,1-4H3/b6-5+,8-7+.
What are the key properties of (3E,5E)-2-trimethylsilyloxyhepta-3,5-dienenitrile?
(3E,5E)-2-trimethylsilyloxyhepta-3,5-dienenitrile has a molecular weight of 195.34 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-2-trimethylsilyloxyhepta-3,5-dienenitrile is sourced from PubChem (CID 12588987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).