methyl [(Z)-4-trimethylsilylbut-2-enyl] carbonate

C9H18O3Si — CID 59558915

IUPACmethyl [(Z)-4-trimethylsilylbut-2-enyl] carbonate
SMILESCOC(=O)OC/C=C\C[Si](C)(C)C
InChIInChI=1S/C9H18O3Si/c1-11-9(10)12-7-5-6-8-13(2,3)4/h5-6H,7-8H2,1-4H3/b6-5-
InChIKeyKCXUHDWXKFJTDG-WAYWQWQTSA-N
MW202.33 g/mol
LogP2.66
Rot. Bonds4

About methyl [(Z)-4-trimethylsilylbut-2-enyl] carbonate

methyl [(Z)-4-trimethylsilylbut-2-enyl] carbonate (PubChem CID 59558915) has the molecular formula C9H18O3Si and a molecular weight of 202.33 g/mol. Its IUPAC name is methyl [(Z)-4-trimethylsilylbut-2-enyl] carbonate.

Molecular Properties

Compound Namemethyl [(Z)-4-trimethylsilylbut-2-enyl] carbonate
PubChem CID59558915
Molecular FormulaC9H18O3Si
Molecular Weight202.33 g/mol
Exact Mass202.10
IUPAC Namemethyl [(Z)-4-trimethylsilylbut-2-enyl] carbonate
SMILESCOC(=O)OC/C=C\C[Si](C)(C)C
InChIInChI=1S/C9H18O3Si/c1-11-9(10)12-7-5-6-8-13(2,3)4/h5-6H,7-8H2,1-4H3/b6-5-
InChIKeyKCXUHDWXKFJTDG-WAYWQWQTSA-N
XLogP2.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.33
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl [(Z)-4-trimethylsilylbut-2-enyl] carbonate?
The IUPAC name of methyl [(Z)-4-trimethylsilylbut-2-enyl] carbonate (CID 59558915) is methyl [(Z)-4-trimethylsilylbut-2-enyl] carbonate.
What is the SMILES notation for methyl [(Z)-4-trimethylsilylbut-2-enyl] carbonate?
The canonical SMILES for methyl [(Z)-4-trimethylsilylbut-2-enyl] carbonate is COC(=O)OC/C=C\C[Si](C)(C)C.
What is the InChIKey of methyl [(Z)-4-trimethylsilylbut-2-enyl] carbonate?
The InChIKey is KCXUHDWXKFJTDG-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H18O3Si/c1-11-9(10)12-7-5-6-8-13(2,3)4/h5-6H,7-8H2,1-4H3/b6-5-.
What are the key properties of methyl [(Z)-4-trimethylsilylbut-2-enyl] carbonate?
methyl [(Z)-4-trimethylsilylbut-2-enyl] carbonate has a molecular weight of 202.33 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl [(Z)-4-trimethylsilylbut-2-enyl] carbonate is sourced from PubChem (CID 59558915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).