5-[tert-butyl(dimethyl)silyl]oxyhept-2-enenitrile

C13H25NOSi — CID 123172359

IUPAC5-[tert-butyl(dimethyl)silyl]oxyhept-2-enenitrile
SMILESCCC(CC=CC#N)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H25NOSi/c1-7-12(10-8-9-11-14)15-16(5,6)13(2,3)4/h8-9,12H,7,10H2,1-6H3
InChIKeyCTTCGTOTSAOARR-UHFFFAOYSA-N
MW239.43 g/mol
LogP4.26
Rot. Bonds5

About 5-[tert-butyl(dimethyl)silyl]oxyhept-2-enenitrile

5-[tert-butyl(dimethyl)silyl]oxyhept-2-enenitrile (PubChem CID 123172359) has the molecular formula C13H25NOSi and a molecular weight of 239.43 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxyhept-2-enenitrile.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxyhept-2-enenitrile
PubChem CID123172359
Molecular FormulaC13H25NOSi
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxyhept-2-enenitrile
SMILESCCC(CC=CC#N)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H25NOSi/c1-7-12(10-8-9-11-14)15-16(5,6)13(2,3)4/h8-9,12H,7,10H2,1-6H3
InChIKeyCTTCGTOTSAOARR-UHFFFAOYSA-N
XLogP4.26
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.43
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-pentan-3-yloxysilane;molecular hydrogen
CID 175100098
tert-butyl-dimethyl-oct-5-yn-3-yloxysilane
CID 88749377
tert-butyl-[(3R)-1-iodopentan-3-yl]oxy-dimethylsilane
CID 15939181
(3R)-3-[tert-butyl(dimethyl)silyl]oxypentan-1-ol
CID 10900101
tert-butyl-[(2R)-1-[(2R,3S)-3-(iodomethyl)oxiran-2-yl]butan-2-yl]oxy-dimethylsilane
CID 102051822
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynenitrile
CID 11087733
(E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyhex-2-enenitrile
CID 10514274
(5S)-5-[tert-butyl(dimethyl)silyl]oxyheptanal
CID 11021146
(2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enenitrile
CID 11687136
3-[tert-butyl(dimethyl)silyl]oxy-4-chlorobutanenitrile
CID 5097328
(E,2S)-2-[tert-butyl(dimethyl)silyl]oxydec-4-en-1-ol
CID 102588755
(E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-6-oxohex-2-enenitrile
CID 11288616

Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxyhept-2-enenitrile?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxyhept-2-enenitrile (CID 123172359) is 5-[tert-butyl(dimethyl)silyl]oxyhept-2-enenitrile.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxyhept-2-enenitrile?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxyhept-2-enenitrile is CCC(CC=CC#N)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxyhept-2-enenitrile?
The InChIKey is CTTCGTOTSAOARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NOSi/c1-7-12(10-8-9-11-14)15-16(5,6)13(2,3)4/h8-9,12H,7,10H2,1-6H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxyhept-2-enenitrile?
5-[tert-butyl(dimethyl)silyl]oxyhept-2-enenitrile has a molecular weight of 239.43 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxyhept-2-enenitrile is sourced from PubChem (CID 123172359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).