[(2S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl] methyl carbonate

C12H24O4Si — CID 101036593

IUPAC[(2S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl] methyl carbonate
SMILESC=C[C@@H](CO[Si](C)(C)C(C)(C)C)OC(=O)OC
InChIInChI=1S/C12H24O4Si/c1-8-10(16-11(13)14-5)9-15-17(6,7)12(2,3)4/h8,10H,1,9H2,2-7H3/t10-/m0/s1
InChIKeyNIMCROWFHUZCQI-JTQLQIEISA-N
MW260.41 g/mol
LogP3.35
Rot. Bonds5

About [(2S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl] methyl carbonate

[(2S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl] methyl carbonate (PubChem CID 101036593) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is [(2S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl] methyl carbonate.

Molecular Properties

Compound Name[(2S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl] methyl carbonate
PubChem CID101036593
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Name[(2S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl] methyl carbonate
SMILESC=C[C@@H](CO[Si](C)(C)C(C)(C)C)OC(=O)OC
InChIInChI=1S/C12H24O4Si/c1-8-10(16-11(13)14-5)9-15-17(6,7)12(2,3)4/h8,10H,1,9H2,2-7H3/t10-/m0/s1
InChIKeyNIMCROWFHUZCQI-JTQLQIEISA-N
XLogP3.35
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

[(E,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enyl] methyl carbonate
CID 15326321
[(2R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl] methyl carbonate
CID 102073389
[(3R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyran-3-yl] methyl carbonate
CID 102526053
[(3R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyran-3-yl] methyl carbonate
CID 102526055
tert-butyl-[(2S,3R)-3-(methoxymethoxy)pent-4-en-2-yl]oxy-dimethylsilane
CID 10978227
4-Ethenyl-5-trimethylsilyl-1,3-dioxolan-2-one
CID 17826805
tert-butyl-[(2R)-2-(methoxymethoxy)but-3-enoxy]-dimethylsilane
CID 58405981
Tert-butyl-[2-(methoxymethoxy)but-3-enoxy]-dimethylsilane
CID 76778047
tert-butyl-[(2R)-2-(methoxymethoxy)but-3-enoxy]-dimethylsilane;(2S)-2-ethyloxirane
CID 123762287
Ethenyl-diethoxy-(1,1,1-trimethoxybut-3-en-2-yloxy)silane
CID 149435766
4-[(E)-3-[tert-butyl(dimethyl)silyl]prop-2-enoxy]-4,5-dimethyl-1,3-dioxolan-2-one
CID 155607214
4-[(Z)-2-trimethylsilylethenyl]-1,3-dioxolan-2-one
CID 158822231

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl] methyl carbonate?
The IUPAC name of [(2S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl] methyl carbonate (CID 101036593) is [(2S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl] methyl carbonate.
What is the SMILES notation for [(2S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl] methyl carbonate?
The canonical SMILES for [(2S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl] methyl carbonate is C=C[C@@H](CO[Si](C)(C)C(C)(C)C)OC(=O)OC.
What is the InChIKey of [(2S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl] methyl carbonate?
The InChIKey is NIMCROWFHUZCQI-JTQLQIEISA-N. The full InChI is InChI=1S/C12H24O4Si/c1-8-10(16-11(13)14-5)9-15-17(6,7)12(2,3)4/h8,10H,1,9H2,2-7H3/t10-/m0/s1.
What are the key properties of [(2S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl] methyl carbonate?
[(2S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl] methyl carbonate has a molecular weight of 260.41 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl] methyl carbonate is sourced from PubChem (CID 101036593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).