(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3-propan-2-ylpent-4-enenitrile

C15H29NOSi — CID 134896031

IUPAC(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3-propan-2-ylpent-4-enenitrile
SMILESC=C[C@](C)(C(C)C)[C@H](C#N)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H29NOSi/c1-10-15(7,12(2)3)13(11-16)17-18(8,9)14(4,5)6/h10,12-13H,1H2,2-9H3/t13-,15+/m0/s1
InChIKeyPHKZMYGPXZRDEG-DZGCQCFKSA-N
MW267.49 g/mol
LogP4.75
Rot. Bonds5

About (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3-propan-2-ylpent-4-enenitrile

(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3-propan-2-ylpent-4-enenitrile (PubChem CID 134896031) has the molecular formula C15H29NOSi and a molecular weight of 267.49 g/mol. Its IUPAC name is (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3-propan-2-ylpent-4-enenitrile.

Molecular Properties

Compound Name(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3-propan-2-ylpent-4-enenitrile
PubChem CID134896031
Molecular FormulaC15H29NOSi
Molecular Weight267.49 g/mol
Exact Mass267.20
IUPAC Name(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3-propan-2-ylpent-4-enenitrile
SMILESC=C[C@](C)(C(C)C)[C@H](C#N)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H29NOSi/c1-10-15(7,12(2)3)13(11-16)17-18(8,9)14(4,5)6/h10,12-13H,1H2,2-9H3/t13-,15+/m0/s1
InChIKeyPHKZMYGPXZRDEG-DZGCQCFKSA-N
XLogP4.75
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.49
LogP ≤ 54.75
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-ethyl-3-methylpent-4-enenitrile
CID 134895955
(2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enenitrile
CID 11687136
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanenitrile
CID 134896006
(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanenitrile
CID 11009699
tert-butyl-[(3S,4R)-2,4-dimethyloct-7-en-5-yn-3-yl]oxy-dimethylsilane
CID 101168213
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 53381041
tert-butyl-(5,5-dimethyloct-7-en-2-yn-4-yloxy)-dimethylsilane
CID 15317059
tert-butyl-[(1S)-1-methoxyethoxy]-dimethylsilane
CID 153446307
tert-butyl-(4,4-dimethylpent-1-en-3-yloxy)-dimethylsilane
CID 14644027
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-cyano-2-propan-2-ylbutanoic acid
CID 87076440
tert-butyl-(4,4-dimethyl-1-trimethylsilylhept-6-en-1-yn-3-yl)oxy-dimethylsilane
CID 11782316
(E,2S)-4-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybut-3-enenitrile
CID 101444805

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3-propan-2-ylpent-4-enenitrile?
The IUPAC name of (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3-propan-2-ylpent-4-enenitrile (CID 134896031) is (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3-propan-2-ylpent-4-enenitrile.
What is the SMILES notation for (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3-propan-2-ylpent-4-enenitrile?
The canonical SMILES for (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3-propan-2-ylpent-4-enenitrile is C=C[C@](C)(C(C)C)[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-methyl-3-propan-2-ylpent-4-enenitrile?
The InChIKey is PHKZMYGPXZRDEG-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H29NOSi/c1-10-15(7,12(2)3)13(11-16)17-18(8,9)14(4,5)6/h10,12-13H,1H2,2-9H3/t13-,15+/m0/s1.
What are the key properties of (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3-propan-2-ylpent-4-enenitrile?
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3-propan-2-ylpent-4-enenitrile has a molecular weight of 267.49 g/mol, XLogP of 4.75, 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-methyl-3-propan-2-ylpent-4-enenitrile is sourced from PubChem (CID 134896031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).