methyl [(Z)-3-triethylsilylbut-2-enyl] carbonate

C12H24O3Si — CID 11791417

IUPACmethyl [(Z)-3-triethylsilylbut-2-enyl] carbonate
SMILESCC[Si](CC)(CC)/C(C)=C\COC(=O)OC
InChIInChI=1S/C12H24O3Si/c1-6-16(7-2,8-3)11(4)9-10-15-12(13)14-5/h9H,6-8,10H2,1-5H3/b11-9-
InChIKeyNDAIEYREKXJCTM-LUAWRHEFSA-N
MW244.41 g/mol
LogP3.76
Rot. Bonds6

About methyl [(Z)-3-triethylsilylbut-2-enyl] carbonate

methyl [(Z)-3-triethylsilylbut-2-enyl] carbonate (PubChem CID 11791417) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is methyl [(Z)-3-triethylsilylbut-2-enyl] carbonate.

Molecular Properties

Compound Namemethyl [(Z)-3-triethylsilylbut-2-enyl] carbonate
PubChem CID11791417
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Namemethyl [(Z)-3-triethylsilylbut-2-enyl] carbonate
SMILESCC[Si](CC)(CC)/C(C)=C\COC(=O)OC
InChIInChI=1S/C12H24O3Si/c1-6-16(7-2,8-3)11(4)9-10-15-12(13)14-5/h9H,6-8,10H2,1-5H3/b11-9-
InChIKeyNDAIEYREKXJCTM-LUAWRHEFSA-N
XLogP3.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl [(Z)-3-triethylsilylbut-2-enyl] carbonate?
The IUPAC name of methyl [(Z)-3-triethylsilylbut-2-enyl] carbonate (CID 11791417) is methyl [(Z)-3-triethylsilylbut-2-enyl] carbonate.
What is the SMILES notation for methyl [(Z)-3-triethylsilylbut-2-enyl] carbonate?
The canonical SMILES for methyl [(Z)-3-triethylsilylbut-2-enyl] carbonate is CC[Si](CC)(CC)/C(C)=C\COC(=O)OC.
What is the InChIKey of methyl [(Z)-3-triethylsilylbut-2-enyl] carbonate?
The InChIKey is NDAIEYREKXJCTM-LUAWRHEFSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-6-16(7-2,8-3)11(4)9-10-15-12(13)14-5/h9H,6-8,10H2,1-5H3/b11-9-.
What are the key properties of methyl [(Z)-3-triethylsilylbut-2-enyl] carbonate?
methyl [(Z)-3-triethylsilylbut-2-enyl] carbonate has a molecular weight of 244.41 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl [(Z)-3-triethylsilylbut-2-enyl] carbonate is sourced from PubChem (CID 11791417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).