(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-3-methylpent-4-enenitrile

C14H27NOSi — CID 134895955

IUPAC(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-3-methylpent-4-enenitrile
SMILESC=C[C@](C)(CC)[C@H](C#N)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H27NOSi/c1-9-14(6,10-2)12(11-15)16-17(7,8)13(3,4)5/h9,12H,1,10H2,2-8H3/t12-,14+/m0/s1
InChIKeyJBPAWCDFTWKZCU-GXTWGEPZSA-N
MW253.46 g/mol
LogP4.50
Rot. Bonds5

About (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-3-methylpent-4-enenitrile

(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-3-methylpent-4-enenitrile (PubChem CID 134895955) has the molecular formula C14H27NOSi and a molecular weight of 253.46 g/mol. Its IUPAC name is (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-3-methylpent-4-enenitrile.

Molecular Properties

Compound Name(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-3-methylpent-4-enenitrile
PubChem CID134895955
Molecular FormulaC14H27NOSi
Molecular Weight253.46 g/mol
Exact Mass253.19
IUPAC Name(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-3-methylpent-4-enenitrile
SMILESC=C[C@](C)(CC)[C@H](C#N)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H27NOSi/c1-9-14(6,10-2)12(11-15)16-17(7,8)13(3,4)5/h9,12H,1,10H2,2-8H3/t12-,14+/m0/s1
InChIKeyJBPAWCDFTWKZCU-GXTWGEPZSA-N
XLogP4.50
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.46
LogP ≤ 54.50
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

(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3-propan-2-ylpent-4-enenitrile
CID 134896031
(2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enenitrile
CID 11687136
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanenitrile
CID 134896006
tert-butyl-hex-1-en-3-yloxy-dimethylsilane
CID 11206678
2-[tert-butyl(dimethyl)silyl]oxy-3-dodecoxypropanenitrile
CID 152762097
tert-butyl-(5,5-dimethyloct-7-en-2-yn-4-yloxy)-dimethylsilane
CID 15317059
tert-butyl-(4,4-dimethyl-1-trimethylsilylhept-6-en-1-yn-3-yl)oxy-dimethylsilane
CID 11782316
tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxybut-3-enoxy]-dimethylsilane
CID 101029883
(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanenitrile
CID 11009699
5-[tert-butyl(dimethyl)silyl]oxyhept-2-enenitrile
CID 123172359
(Z,2R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-ethylbut-3-enenitrile
CID 102246695
[(3R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-en-1-ynyl]-trimethylsilane
CID 10837963

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-3-methylpent-4-enenitrile?
The IUPAC name of (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-3-methylpent-4-enenitrile (CID 134895955) is (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-3-methylpent-4-enenitrile.
What is the SMILES notation for (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-3-methylpent-4-enenitrile?
The canonical SMILES for (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-3-methylpent-4-enenitrile is C=C[C@](C)(CC)[C@H](C#N)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-3-methylpent-4-enenitrile?
The InChIKey is JBPAWCDFTWKZCU-GXTWGEPZSA-N. The full InChI is InChI=1S/C14H27NOSi/c1-9-14(6,10-2)12(11-15)16-17(7,8)13(3,4)5/h9,12H,1,10H2,2-8H3/t12-,14+/m0/s1.
What are the key properties of (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-3-methylpent-4-enenitrile?
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-3-methylpent-4-enenitrile has a molecular weight of 253.46 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-3-methylpent-4-enenitrile is sourced from PubChem (CID 134895955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).