(2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enenitrile

C11H21NOSi — CID 11687136

IUPAC(2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enenitrile
SMILESC=CC[C@@H](C#N)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H21NOSi/c1-7-8-10(9-12)13-14(5,6)11(2,3)4/h7,10H,1,8H2,2-6H3/t10-/m0/s1
InChIKeyRVCVINUCIGNWHT-JTQLQIEISA-N
MW211.38 g/mol
LogP3.48
Rot. Bonds4

About (2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enenitrile

(2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enenitrile (PubChem CID 11687136) has the molecular formula C11H21NOSi and a molecular weight of 211.38 g/mol. Its IUPAC name is (2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enenitrile.

Molecular Properties

Compound Name(2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enenitrile
PubChem CID11687136
Molecular FormulaC11H21NOSi
Molecular Weight211.38 g/mol
Exact Mass211.14
IUPAC Name(2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enenitrile
SMILESC=CC[C@@H](C#N)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H21NOSi/c1-7-8-10(9-12)13-14(5,6)11(2,3)4/h7,10H,1,8H2,2-6H3/t10-/m0/s1
InChIKeyRVCVINUCIGNWHT-JTQLQIEISA-N
XLogP3.48
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.38
LogP ≤ 53.48
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

tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxybut-3-enoxy]-dimethylsilane
CID 101029883
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-3-methylpent-4-enenitrile
CID 134895955
tert-butyl-[(2S,3R)-2-iodohex-5-en-3-yl]oxy-dimethylsilane
CID 102090847
tert-butyl-[(2S,3S)-3-ethenylhex-5-en-2-yl]oxy-dimethylsilane
CID 134863816
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-cyano-2-propan-2-ylbutanoic acid
CID 87076440
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanenitrile
CID 134896006
tert-butyl-dimethyl-[(Z,3S)-oct-5-en-1-yn-3-yl]oxysilane
CID 169074612
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3-propan-2-ylpent-4-enenitrile
CID 134896031
2-[tert-butyl(dimethyl)silyl]oxy-3-dodecoxypropanenitrile
CID 152762097
2-[tert-butyl(dimethyl)silyl]oxytetradeca-6,12-diynenitrile
CID 135071982
3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid
CID 14110577
tert-butyl-(4,4-dimethylpent-1-en-3-yloxy)-dimethylsilane
CID 14644027

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enenitrile?
The IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enenitrile (CID 11687136) is (2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enenitrile.
What is the SMILES notation for (2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enenitrile?
The canonical SMILES for (2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enenitrile is C=CC[C@@H](C#N)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enenitrile?
The InChIKey is RVCVINUCIGNWHT-JTQLQIEISA-N. The full InChI is InChI=1S/C11H21NOSi/c1-7-8-10(9-12)13-14(5,6)11(2,3)4/h7,10H,1,8H2,2-6H3/t10-/m0/s1.
What are the key properties of (2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enenitrile?
(2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enenitrile has a molecular weight of 211.38 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enenitrile is sourced from PubChem (CID 11687136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).