(Z)-2-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilylpent-2-enenitrile

C14H29NOSi2 — CID 101051208

IUPAC(Z)-2-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilylpent-2-enenitrile
SMILESCC(/C=C(/C#N)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C14H29NOSi2/c1-12(17(5,6)7)10-13(11-15)16-18(8,9)14(2,3)4/h10,12H,1-9H3/b13-10-
InChIKeyLXKKJVDRPVNIGS-RAXLEYEMSA-N
MW283.56 g/mol
LogP5.14
Rot. Bonds4

About (Z)-2-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilylpent-2-enenitrile

(Z)-2-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilylpent-2-enenitrile (PubChem CID 101051208) has the molecular formula C14H29NOSi2 and a molecular weight of 283.56 g/mol. Its IUPAC name is (Z)-2-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilylpent-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilylpent-2-enenitrile
PubChem CID101051208
Molecular FormulaC14H29NOSi2
Molecular Weight283.56 g/mol
Exact Mass283.18
IUPAC Name(Z)-2-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilylpent-2-enenitrile
SMILESCC(/C=C(/C#N)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C14H29NOSi2/c1-12(17(5,6)7)10-13(11-15)16-18(8,9)14(2,3)4/h10,12H,1-9H3/b13-10-
InChIKeyLXKKJVDRPVNIGS-RAXLEYEMSA-N
XLogP5.14
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.56
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(E,2S)-4-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybut-3-enenitrile
CID 101444805
tert-butyl-[(3Z)-5,6-dimethylocta-3,7-dien-3-yl]oxy-dimethylsilane
CID 11391537
(E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyhex-2-enenitrile
CID 10514274
tert-butyl-dimethyl-[(3E)-5-methylhepta-3,6-dien-3-yl]oxysilane
CID 10879267
[tert-butyl(dimethyl)silyl] propan-2-yl carbonate
CID 155712738
2-(2,3,3-trimethylbutylidene)propanedinitrile
CID 15247712
(E,3R)-1-[tert-butyl(dimethyl)silyl]oxy-1-iodopent-1-en-3-ol
CID 172738492
tert-butyl-dimethyl-[(3E)-5-methylocta-3,7-dien-3-yl]oxysilane
CID 15691228
1-[tert-butyl(dimethyl)silyl]oxyethanol
CID 22038232
(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanenitrile
CID 101034537
tert-butyl-[(1Z,3Z)-1-methoxypenta-1,3-dienoxy]-dimethylsilane
CID 11817041
[tert-butyl(dimethyl)silyl] (2E,4E)-hexa-2,4-dienoate
CID 5374163

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilylpent-2-enenitrile?
The IUPAC name of (Z)-2-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilylpent-2-enenitrile (CID 101051208) is (Z)-2-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilylpent-2-enenitrile.
What is the SMILES notation for (Z)-2-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilylpent-2-enenitrile?
The canonical SMILES for (Z)-2-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilylpent-2-enenitrile is CC(/C=C(/C#N)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C.
What is the InChIKey of (Z)-2-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilylpent-2-enenitrile?
The InChIKey is LXKKJVDRPVNIGS-RAXLEYEMSA-N. The full InChI is InChI=1S/C14H29NOSi2/c1-12(17(5,6)7)10-13(11-15)16-18(8,9)14(2,3)4/h10,12H,1-9H3/b13-10-.
What are the key properties of (Z)-2-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilylpent-2-enenitrile?
(Z)-2-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilylpent-2-enenitrile has a molecular weight of 283.56 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilylpent-2-enenitrile is sourced from PubChem (CID 101051208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).