(E,2R)-2-trimethylsilyloxyhept-3-enenitrile

C10H19NOSi — CID 11680004

IUPAC(E,2R)-2-trimethylsilyloxyhept-3-enenitrile
SMILESCCC/C=C/[C@H](C#N)O[Si](C)(C)C
InChIInChI=1S/C10H19NOSi/c1-5-6-7-8-10(9-11)12-13(2,3)4/h7-8,10H,5-6H2,1-4H3/b8-7+/t10-/m1/s1
InChIKeyMIZYANNLJTVJNC-QROSGCPLSA-N
MW197.35 g/mol
LogP3.09
Rot. Bonds5

About (E,2R)-2-trimethylsilyloxyhept-3-enenitrile

(E,2R)-2-trimethylsilyloxyhept-3-enenitrile (PubChem CID 11680004) has the molecular formula C10H19NOSi and a molecular weight of 197.35 g/mol. Its IUPAC name is (E,2R)-2-trimethylsilyloxyhept-3-enenitrile.

Molecular Properties

Compound Name(E,2R)-2-trimethylsilyloxyhept-3-enenitrile
PubChem CID11680004
Molecular FormulaC10H19NOSi
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC Name(E,2R)-2-trimethylsilyloxyhept-3-enenitrile
SMILESCCC/C=C/[C@H](C#N)O[Si](C)(C)C
InChIInChI=1S/C10H19NOSi/c1-5-6-7-8-10(9-11)12-13(2,3)4/h7-8,10H,5-6H2,1-4H3/b8-7+/t10-/m1/s1
InChIKeyMIZYANNLJTVJNC-QROSGCPLSA-N
XLogP3.09
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 53.09
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
3-Trimethylsilyloxypent-4-enenitrile
CID 11137546
(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

Frequently Asked Questions

What is the IUPAC name of (E,2R)-2-trimethylsilyloxyhept-3-enenitrile?
The IUPAC name of (E,2R)-2-trimethylsilyloxyhept-3-enenitrile (CID 11680004) is (E,2R)-2-trimethylsilyloxyhept-3-enenitrile.
What is the SMILES notation for (E,2R)-2-trimethylsilyloxyhept-3-enenitrile?
The canonical SMILES for (E,2R)-2-trimethylsilyloxyhept-3-enenitrile is CCC/C=C/[C@H](C#N)O[Si](C)(C)C.
What is the InChIKey of (E,2R)-2-trimethylsilyloxyhept-3-enenitrile?
The InChIKey is MIZYANNLJTVJNC-QROSGCPLSA-N. The full InChI is InChI=1S/C10H19NOSi/c1-5-6-7-8-10(9-11)12-13(2,3)4/h7-8,10H,5-6H2,1-4H3/b8-7+/t10-/m1/s1.
What are the key properties of (E,2R)-2-trimethylsilyloxyhept-3-enenitrile?
(E,2R)-2-trimethylsilyloxyhept-3-enenitrile has a molecular weight of 197.35 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-2-trimethylsilyloxyhept-3-enenitrile is sourced from PubChem (CID 11680004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).