diethyl (4R,5R)-2-[(E)-3-trimethylsilylprop-2-enyl]-1,3,2-dioxaborolane-4,5-dicarboxylate

C14H25BO6Si — CID 11809601

IUPACdiethyl (4R,5R)-2-[(E)-3-trimethylsilylprop-2-enyl]-1,3,2-dioxaborolane-4,5-dicarboxylate
SMILESCCOC(=O)[C@@H]1OB(C/C=C/[Si](C)(C)C)O[C@H]1C(=O)OCC
InChIInChI=1S/C14H25BO6Si/c1-6-18-13(16)11-12(14(17)19-7-2)21-15(20-11)9-8-10-22(3,4)5/h8,10-12H,6-7,9H2,1-5H3/b10-8+/t11-,12-/m1/s1
InChIKeyNPNDRMDHTCNDOM-BXAYLQTHSA-N
MW328.25 g/mol
LogP1.82
Rot. Bonds7

About diethyl (4R,5R)-2-[(E)-3-trimethylsilylprop-2-enyl]-1,3,2-dioxaborolane-4,5-dicarboxylate

diethyl (4R,5R)-2-[(E)-3-trimethylsilylprop-2-enyl]-1,3,2-dioxaborolane-4,5-dicarboxylate (PubChem CID 11809601) has the molecular formula C14H25BO6Si and a molecular weight of 328.25 g/mol. Its IUPAC name is diethyl (4R,5R)-2-[(E)-3-trimethylsilylprop-2-enyl]-1,3,2-dioxaborolane-4,5-dicarboxylate.

Molecular Properties

Compound Namediethyl (4R,5R)-2-[(E)-3-trimethylsilylprop-2-enyl]-1,3,2-dioxaborolane-4,5-dicarboxylate
PubChem CID11809601
Molecular FormulaC14H25BO6Si
Molecular Weight328.25 g/mol
Exact Mass328.15
IUPAC Namediethyl (4R,5R)-2-[(E)-3-trimethylsilylprop-2-enyl]-1,3,2-dioxaborolane-4,5-dicarboxylate
SMILESCCOC(=O)[C@@H]1OB(C/C=C/[Si](C)(C)C)O[C@H]1C(=O)OCC
InChIInChI=1S/C14H25BO6Si/c1-6-18-13(16)11-12(14(17)19-7-2)21-15(20-11)9-8-10-22(3,4)5/h8,10-12H,6-7,9H2,1-5H3/b10-8+/t11-,12-/m1/s1
InChIKeyNPNDRMDHTCNDOM-BXAYLQTHSA-N
XLogP1.82
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 diethyl (4R,5R)-2-[(E)-3-trimethylsilylprop-2-enyl]-1,3,2-dioxaborolane-4,5-dicarboxylate?
The IUPAC name of diethyl (4R,5R)-2-[(E)-3-trimethylsilylprop-2-enyl]-1,3,2-dioxaborolane-4,5-dicarboxylate (CID 11809601) is diethyl (4R,5R)-2-[(E)-3-trimethylsilylprop-2-enyl]-1,3,2-dioxaborolane-4,5-dicarboxylate.
What is the SMILES notation for diethyl (4R,5R)-2-[(E)-3-trimethylsilylprop-2-enyl]-1,3,2-dioxaborolane-4,5-dicarboxylate?
The canonical SMILES for diethyl (4R,5R)-2-[(E)-3-trimethylsilylprop-2-enyl]-1,3,2-dioxaborolane-4,5-dicarboxylate is CCOC(=O)[C@@H]1OB(C/C=C/[Si](C)(C)C)O[C@H]1C(=O)OCC.
What is the InChIKey of diethyl (4R,5R)-2-[(E)-3-trimethylsilylprop-2-enyl]-1,3,2-dioxaborolane-4,5-dicarboxylate?
The InChIKey is NPNDRMDHTCNDOM-BXAYLQTHSA-N. The full InChI is InChI=1S/C14H25BO6Si/c1-6-18-13(16)11-12(14(17)19-7-2)21-15(20-11)9-8-10-22(3,4)5/h8,10-12H,6-7,9H2,1-5H3/b10-8+/t11-,12-/m1/s1.
What are the key properties of diethyl (4R,5R)-2-[(E)-3-trimethylsilylprop-2-enyl]-1,3,2-dioxaborolane-4,5-dicarboxylate?
diethyl (4R,5R)-2-[(E)-3-trimethylsilylprop-2-enyl]-1,3,2-dioxaborolane-4,5-dicarboxylate has a molecular weight of 328.25 g/mol, XLogP of 1.82, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (4R,5R)-2-[(E)-3-trimethylsilylprop-2-enyl]-1,3,2-dioxaborolane-4,5-dicarboxylate is sourced from PubChem (CID 11809601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).