methyl [(Z)-4-tri(propan-2-yl)silyloxybut-2-enyl] carbonate

C15H30O4Si — CID 139253707

IUPACmethyl [(Z)-4-tri(propan-2-yl)silyloxybut-2-enyl] carbonate
SMILESCOC(=O)OC/C=C\CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H30O4Si/c1-12(2)20(13(3)4,14(5)6)19-11-9-8-10-18-15(16)17-7/h8-9,12-14H,10-11H2,1-7H3/b9-8-
InChIKeyMLIOYGRBBKDWMM-HJWRWDBZSA-N
MW302.49 g/mol
LogP4.52
Rot. Bonds8

About methyl [(Z)-4-tri(propan-2-yl)silyloxybut-2-enyl] carbonate

methyl [(Z)-4-tri(propan-2-yl)silyloxybut-2-enyl] carbonate (PubChem CID 139253707) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is methyl [(Z)-4-tri(propan-2-yl)silyloxybut-2-enyl] carbonate.

Molecular Properties

Compound Namemethyl [(Z)-4-tri(propan-2-yl)silyloxybut-2-enyl] carbonate
PubChem CID139253707
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Namemethyl [(Z)-4-tri(propan-2-yl)silyloxybut-2-enyl] carbonate
SMILESCOC(=O)OC/C=C\CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H30O4Si/c1-12(2)20(13(3)4,14(5)6)19-11-9-8-10-18-15(16)17-7/h8-9,12-14H,10-11H2,1-7H3/b9-8-
InChIKeyMLIOYGRBBKDWMM-HJWRWDBZSA-N
XLogP4.52
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 54.52
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
[(Z)-4-ethoxycarbonyloxybut-2-enyl] ethyl carbonate
CID 10966362
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 methyl [(Z)-4-tri(propan-2-yl)silyloxybut-2-enyl] carbonate?
The IUPAC name of methyl [(Z)-4-tri(propan-2-yl)silyloxybut-2-enyl] carbonate (CID 139253707) is methyl [(Z)-4-tri(propan-2-yl)silyloxybut-2-enyl] carbonate.
What is the SMILES notation for methyl [(Z)-4-tri(propan-2-yl)silyloxybut-2-enyl] carbonate?
The canonical SMILES for methyl [(Z)-4-tri(propan-2-yl)silyloxybut-2-enyl] carbonate is COC(=O)OC/C=C\CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of methyl [(Z)-4-tri(propan-2-yl)silyloxybut-2-enyl] carbonate?
The InChIKey is MLIOYGRBBKDWMM-HJWRWDBZSA-N. The full InChI is InChI=1S/C15H30O4Si/c1-12(2)20(13(3)4,14(5)6)19-11-9-8-10-18-15(16)17-7/h8-9,12-14H,10-11H2,1-7H3/b9-8-.
What are the key properties of methyl [(Z)-4-tri(propan-2-yl)silyloxybut-2-enyl] carbonate?
methyl [(Z)-4-tri(propan-2-yl)silyloxybut-2-enyl] carbonate has a molecular weight of 302.49 g/mol, XLogP of 4.52, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl [(Z)-4-tri(propan-2-yl)silyloxybut-2-enyl] carbonate is sourced from PubChem (CID 139253707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).