tert-butyl-dimethyl-[(E,2S)-5-pyrrolidin-1-ylpent-3-en-2-yl]oxysilane

C15H31NOSi — CID 10445809

IUPACtert-butyl-dimethyl-[(E,2S)-5-pyrrolidin-1-ylpent-3-en-2-yl]oxysilane
SMILESC[C@@H](/C=C/CN1CCCC1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H31NOSi/c1-14(17-18(5,6)15(2,3)4)10-9-13-16-11-7-8-12-16/h9-10,14H,7-8,11-13H2,1-6H3/b10-9+/t14-/m0/s1
InChIKeyUPZRITQXWZTBLY-HBWSCVEGSA-N
MW269.50 g/mol
LogP4.05
Rot. Bonds5

About tert-butyl-dimethyl-[(E,2S)-5-pyrrolidin-1-ylpent-3-en-2-yl]oxysilane

tert-butyl-dimethyl-[(E,2S)-5-pyrrolidin-1-ylpent-3-en-2-yl]oxysilane (PubChem CID 10445809) has the molecular formula C15H31NOSi and a molecular weight of 269.50 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E,2S)-5-pyrrolidin-1-ylpent-3-en-2-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E,2S)-5-pyrrolidin-1-ylpent-3-en-2-yl]oxysilane
PubChem CID10445809
Molecular FormulaC15H31NOSi
Molecular Weight269.50 g/mol
Exact Mass269.22
IUPAC Nametert-butyl-dimethyl-[(E,2S)-5-pyrrolidin-1-ylpent-3-en-2-yl]oxysilane
SMILESC[C@@H](/C=C/CN1CCCC1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H31NOSi/c1-14(17-18(5,6)15(2,3)4)10-9-13-16-11-7-8-12-16/h9-10,14H,7-8,11-13H2,1-6H3/b10-9+/t14-/m0/s1
InChIKeyUPZRITQXWZTBLY-HBWSCVEGSA-N
XLogP4.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.50
LogP ≤ 54.05
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-[(Z,2R)-hept-3-en-2-yl]oxy-dimethylsilane
CID 134856373
[(E)-6-bromohex-3-en-2-yl]oxy-tert-butyl-dimethylsilane
CID 174411016
(Z,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-4-en-1-ol
CID 10634072
(E)-5-piperidin-1-ylpent-3-en-2-ol
CID 155350600
(E,1R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-en-1-ol
CID 66573505
1-[(E)-5-methylhex-2-enyl]piperidine
CID 59434725
(9Z,12Z,15Z)-17-[tert-butyl(dimethyl)silyl]oxyoctadeca-9,12,15-trienoic acid
CID 100938118
(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-N-trimethylsilylpropan-1-imine
CID 11747325
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethylhex-3-enoate
CID 139263493
tert-butyl-dimethyl-[(E)-undec-3-en-5-yn-2-yl]oxysilane
CID 102072944
(3R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-pyrrolidin-1-ylpent-4-en-1-one
CID 10425603
1-[(E)-4-methoxybut-2-enyl]pyrrolidine
CID 176557900

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(E,2S)-5-pyrrolidin-1-ylpent-3-en-2-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(E,2S)-5-pyrrolidin-1-ylpent-3-en-2-yl]oxysilane (CID 10445809) is tert-butyl-dimethyl-[(E,2S)-5-pyrrolidin-1-ylpent-3-en-2-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(E,2S)-5-pyrrolidin-1-ylpent-3-en-2-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(E,2S)-5-pyrrolidin-1-ylpent-3-en-2-yl]oxysilane is C[C@@H](/C=C/CN1CCCC1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(E,2S)-5-pyrrolidin-1-ylpent-3-en-2-yl]oxysilane?
The InChIKey is UPZRITQXWZTBLY-HBWSCVEGSA-N. The full InChI is InChI=1S/C15H31NOSi/c1-14(17-18(5,6)15(2,3)4)10-9-13-16-11-7-8-12-16/h9-10,14H,7-8,11-13H2,1-6H3/b10-9+/t14-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(E,2S)-5-pyrrolidin-1-ylpent-3-en-2-yl]oxysilane?
tert-butyl-dimethyl-[(E,2S)-5-pyrrolidin-1-ylpent-3-en-2-yl]oxysilane has a molecular weight of 269.50 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E,2S)-5-pyrrolidin-1-ylpent-3-en-2-yl]oxysilane is sourced from PubChem (CID 10445809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).