[(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] ethyl carbonate

C13H26O4Si — CID 11129509

IUPAC[(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] ethyl carbonate
SMILESCCOC(=O)OC/C=C\CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O4Si/c1-7-15-12(14)16-10-8-9-11-17-18(5,6)13(2,3)4/h8-9H,7,10-11H2,1-6H3/b9-8-
InChIKeySKVJAXIMXGHCEB-HJWRWDBZSA-N
MW274.43 g/mol
LogP3.74
Rot. Bonds6

About [(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] ethyl carbonate

[(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] ethyl carbonate (PubChem CID 11129509) has the molecular formula C13H26O4Si and a molecular weight of 274.43 g/mol. Its IUPAC name is [(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] ethyl carbonate.

Molecular Properties

Compound Name[(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] ethyl carbonate
PubChem CID11129509
Molecular FormulaC13H26O4Si
Molecular Weight274.43 g/mol
Exact Mass274.16
IUPAC Name[(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] ethyl carbonate
SMILESCCOC(=O)OC/C=C\CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O4Si/c1-7-15-12(14)16-10-8-9-11-17-18(5,6)13(2,3)4/h8-9H,7,10-11H2,1-6H3/b9-8-
InChIKeySKVJAXIMXGHCEB-HJWRWDBZSA-N
XLogP3.74
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.74
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)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] methyl carbonate
CID 45139529
[(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

Frequently Asked Questions

What is the IUPAC name of [(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] ethyl carbonate?
The IUPAC name of [(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] ethyl carbonate (CID 11129509) is [(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] ethyl carbonate.
What is the SMILES notation for [(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] ethyl carbonate?
The canonical SMILES for [(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] ethyl carbonate is CCOC(=O)OC/C=C\CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] ethyl carbonate?
The InChIKey is SKVJAXIMXGHCEB-HJWRWDBZSA-N. The full InChI is InChI=1S/C13H26O4Si/c1-7-15-12(14)16-10-8-9-11-17-18(5,6)13(2,3)4/h8-9H,7,10-11H2,1-6H3/b9-8-.
What are the key properties of [(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] ethyl carbonate?
[(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] ethyl carbonate has a molecular weight of 274.43 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] ethyl carbonate is sourced from PubChem (CID 11129509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).