tert-butyl 2-(trimethylsilylmethyl)buta-2,3-dienyl carbonate

C13H24O3Si — CID 71732672

IUPACtert-butyl 2-(trimethylsilylmethyl)buta-2,3-dienyl carbonate
SMILESC=C=C(COC(=O)OC(C)(C)C)C[Si](C)(C)C
InChIInChI=1S/C13H24O3Si/c1-8-11(10-17(5,6)7)9-15-12(14)16-13(2,3)4/h1,9-10H2,2-7H3
InChIKeyPSISDGNSTDMCIL-UHFFFAOYSA-N
MW256.42 g/mol
LogP3.99
Rot. Bonds4

About tert-butyl 2-(trimethylsilylmethyl)buta-2,3-dienyl carbonate

tert-butyl 2-(trimethylsilylmethyl)buta-2,3-dienyl carbonate (PubChem CID 71732672) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is tert-butyl 2-(trimethylsilylmethyl)buta-2,3-dienyl carbonate.

Molecular Properties

Compound Nametert-butyl 2-(trimethylsilylmethyl)buta-2,3-dienyl carbonate
PubChem CID71732672
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Nametert-butyl 2-(trimethylsilylmethyl)buta-2,3-dienyl carbonate
SMILESC=C=C(COC(=O)OC(C)(C)C)C[Si](C)(C)C
InChIInChI=1S/C13H24O3Si/c1-8-11(10-17(5,6)7)9-15-12(14)16-13(2,3)4/h1,9-10H2,2-7H3
InChIKeyPSISDGNSTDMCIL-UHFFFAOYSA-N
XLogP3.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 53.99
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 tert-butyl 2-(trimethylsilylmethyl)buta-2,3-dienyl carbonate?
The IUPAC name of tert-butyl 2-(trimethylsilylmethyl)buta-2,3-dienyl carbonate (CID 71732672) is tert-butyl 2-(trimethylsilylmethyl)buta-2,3-dienyl carbonate.
What is the SMILES notation for tert-butyl 2-(trimethylsilylmethyl)buta-2,3-dienyl carbonate?
The canonical SMILES for tert-butyl 2-(trimethylsilylmethyl)buta-2,3-dienyl carbonate is C=C=C(COC(=O)OC(C)(C)C)C[Si](C)(C)C.
What is the InChIKey of tert-butyl 2-(trimethylsilylmethyl)buta-2,3-dienyl carbonate?
The InChIKey is PSISDGNSTDMCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3Si/c1-8-11(10-17(5,6)7)9-15-12(14)16-13(2,3)4/h1,9-10H2,2-7H3.
What are the key properties of tert-butyl 2-(trimethylsilylmethyl)buta-2,3-dienyl carbonate?
tert-butyl 2-(trimethylsilylmethyl)buta-2,3-dienyl carbonate has a molecular weight of 256.42 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(trimethylsilylmethyl)buta-2,3-dienyl carbonate is sourced from PubChem (CID 71732672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).