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

C12H24O3Si — CID 134888757

IUPACmethyl [(E)-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-PKNBQFBNSA-N
MW244.41 g/mol
LogP3.76
Rot. Bonds6

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

methyl [(E)-3-triethylsilylbut-2-enyl] carbonate (PubChem CID 134888757) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is methyl [(E)-3-triethylsilylbut-2-enyl] carbonate.

Molecular Properties

Compound Namemethyl [(E)-3-triethylsilylbut-2-enyl] carbonate
PubChem CID134888757
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Namemethyl [(E)-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-PKNBQFBNSA-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'}

Analyze methyl [(E)-3-triethylsilylbut-2-enyl] carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl [(E)-3-triethylsilylbut-2-enyl] carbonate?
The IUPAC name of methyl [(E)-3-triethylsilylbut-2-enyl] carbonate (CID 134888757) is methyl [(E)-3-triethylsilylbut-2-enyl] carbonate.
What is the SMILES notation for methyl [(E)-3-triethylsilylbut-2-enyl] carbonate?
The canonical SMILES for methyl [(E)-3-triethylsilylbut-2-enyl] carbonate is CC[Si](CC)(CC)/C(C)=C/COC(=O)OC.
What is the InChIKey of methyl [(E)-3-triethylsilylbut-2-enyl] carbonate?
The InChIKey is NDAIEYREKXJCTM-PKNBQFBNSA-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 [(E)-3-triethylsilylbut-2-enyl] carbonate?
methyl [(E)-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 [(E)-3-triethylsilylbut-2-enyl] carbonate is sourced from PubChem (CID 134888757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).