[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] methyl carbonate

C12H24O4Si — CID 45139529

IUPAC[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] methyl carbonate
SMILESCOC(=O)OC/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O4Si/c1-12(2,3)17(5,6)16-10-8-7-9-15-11(13)14-4/h7-8H,9-10H2,1-6H3/b8-7+
InChIKeyKEMHTOQOTFSYBL-BQYQJAHWSA-N
MW260.41 g/mol
LogP3.35
Rot. Bonds5

About [(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] methyl carbonate

[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] methyl carbonate (PubChem CID 45139529) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is [(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] methyl carbonate.

Molecular Properties

Compound Name[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] methyl carbonate
PubChem CID45139529
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Name[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] methyl carbonate
SMILESCOC(=O)OC/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O4Si/c1-12(2,3)17(5,6)16-10-8-7-9-15-11(13)14-4/h7-8H,9-10H2,1-6H3/b8-7+
InChIKeyKEMHTOQOTFSYBL-BQYQJAHWSA-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

methyl [(Z)-3-trimethylsilylprop-2-enyl] carbonate
CID 59558919
Methyl 3-trimethylsilylprop-2-enyl carbonate
CID 72326232
tert-butyl-[(E)-4-(methoxymethoxy)-4-tributylstannylbut-2-enoxy]-dimethylsilane
CID 10626162
methyl [(Z)-3-triethylsilylbut-2-enyl] carbonate
CID 11791417
[(E,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enyl] methyl carbonate
CID 15326321
[(Z)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enyl] methyl carbonate
CID 24754552
[(E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enyl] methyl carbonate
CID 46702477
methyl [(Z)-4-triethylsilyloxybut-2-enyl] carbonate
CID 101808141
(E)-4-((tert-butyldimethylsilyl)oxy)penta-2,4-dien-1-yl methyl carbonate
CID 134813783
(E)-methyl (4-((trimethylsilyl)oxy)penta-2,4-dien-1-yl) carbonate
CID 134813875
methyl [(E)-3-triethylsilylbut-2-enyl] carbonate
CID 134888757
2-[[Tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enyl ethyl carbonate
CID 134963956

Frequently Asked Questions

What is the IUPAC name of [(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] methyl carbonate?
The IUPAC name of [(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] methyl carbonate (CID 45139529) is [(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] methyl carbonate.
What is the SMILES notation for [(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] methyl carbonate?
The canonical SMILES for [(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] methyl carbonate is COC(=O)OC/C=C/CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] methyl carbonate?
The InChIKey is KEMHTOQOTFSYBL-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-12(2,3)17(5,6)16-10-8-7-9-15-11(13)14-4/h7-8H,9-10H2,1-6H3/b8-7+.
What are the key properties of [(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] methyl carbonate?
[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] 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 [(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] methyl carbonate is sourced from PubChem (CID 45139529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).