ethyl 2-trimethylsilylbuta-2,3-dienyl carbonate

C10H18O3Si — CID 20765143

IUPACethyl 2-trimethylsilylbuta-2,3-dienyl carbonate
SMILESC=C=C(COC(=O)OCC)[Si](C)(C)C
InChIInChI=1S/C10H18O3Si/c1-6-9(14(3,4)5)8-13-10(11)12-7-2/h1,7-8H2,2-5H3
InChIKeyOOQGTOAXJGIRNT-UHFFFAOYSA-N
MW214.34 g/mol
LogP2.75
Rot. Bonds4

About ethyl 2-trimethylsilylbuta-2,3-dienyl carbonate

ethyl 2-trimethylsilylbuta-2,3-dienyl carbonate (PubChem CID 20765143) has the molecular formula C10H18O3Si and a molecular weight of 214.34 g/mol. Its IUPAC name is ethyl 2-trimethylsilylbuta-2,3-dienyl carbonate.

Molecular Properties

Compound Nameethyl 2-trimethylsilylbuta-2,3-dienyl carbonate
PubChem CID20765143
Molecular FormulaC10H18O3Si
Molecular Weight214.34 g/mol
Exact Mass214.10
IUPAC Nameethyl 2-trimethylsilylbuta-2,3-dienyl carbonate
SMILESC=C=C(COC(=O)OCC)[Si](C)(C)C
InChIInChI=1S/C10H18O3Si/c1-6-9(14(3,4)5)8-13-10(11)12-7-2/h1,7-8H2,2-5H3
InChIKeyOOQGTOAXJGIRNT-UHFFFAOYSA-N
XLogP2.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.34
LogP ≤ 52.75
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 ethyl 2-trimethylsilylbuta-2,3-dienyl carbonate?
The IUPAC name of ethyl 2-trimethylsilylbuta-2,3-dienyl carbonate (CID 20765143) is ethyl 2-trimethylsilylbuta-2,3-dienyl carbonate.
What is the SMILES notation for ethyl 2-trimethylsilylbuta-2,3-dienyl carbonate?
The canonical SMILES for ethyl 2-trimethylsilylbuta-2,3-dienyl carbonate is C=C=C(COC(=O)OCC)[Si](C)(C)C.
What is the InChIKey of ethyl 2-trimethylsilylbuta-2,3-dienyl carbonate?
The InChIKey is OOQGTOAXJGIRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3Si/c1-6-9(14(3,4)5)8-13-10(11)12-7-2/h1,7-8H2,2-5H3.
What are the key properties of ethyl 2-trimethylsilylbuta-2,3-dienyl carbonate?
ethyl 2-trimethylsilylbuta-2,3-dienyl carbonate has a molecular weight of 214.34 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-trimethylsilylbuta-2,3-dienyl carbonate is sourced from PubChem (CID 20765143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).