dipropan-2-yl (4R,5R)-2-[(E)-3-[dimethyl-(2,4,6-trimethylphenyl)silyl]prop-2-enyl]-1,3,2-dioxaborolane-4,5-dicarboxylate

C24H37BO6Si — CID 10527946

IUPACdipropan-2-yl (4R,5R)-2-[(E)-3-[dimethyl-(2,4,6-trimethylphenyl)silyl]prop-2-enyl]-1,3,2-dioxaborolane-4,5-dicarboxylate
SMILESCc1cc(C)c([Si](C)(C)/C=C/CB2O[C@@H](C(=O)OC(C)C)[C@H](C(=O)OC(C)C)O2)c(C)c1
InChIInChI=1S/C24H37BO6Si/c1-15(2)28-23(26)20-21(24(27)29-16(3)4)31-25(30-20)11-10-12-32(8,9)22-18(6)13-17(5)14-19(22)7/h10,12-16,20-21H,11H2,1-9H3/b12-10+/t20-,21-/m1/s1
InChIKeyPIMMVIQCAAEFRE-LTVLFBMZSA-N
MW460.45 g/mol
LogP3.80
Rot. Bonds8

About dipropan-2-yl (4R,5R)-2-[(E)-3-[dimethyl-(2,4,6-trimethylphenyl)silyl]prop-2-enyl]-1,3,2-dioxaborolane-4,5-dicarboxylate

dipropan-2-yl (4R,5R)-2-[(E)-3-[dimethyl-(2,4,6-trimethylphenyl)silyl]prop-2-enyl]-1,3,2-dioxaborolane-4,5-dicarboxylate (PubChem CID 10527946) has the molecular formula C24H37BO6Si and a molecular weight of 460.45 g/mol. Its IUPAC name is dipropan-2-yl (4R,5R)-2-[(E)-3-[dimethyl-(2,4,6-trimethylphenyl)silyl]prop-2-enyl]-1,3,2-dioxaborolane-4,5-dicarboxylate.

Molecular Properties

Compound Namedipropan-2-yl (4R,5R)-2-[(E)-3-[dimethyl-(2,4,6-trimethylphenyl)silyl]prop-2-enyl]-1,3,2-dioxaborolane-4,5-dicarboxylate
PubChem CID10527946
Molecular FormulaC24H37BO6Si
Molecular Weight460.45 g/mol
Exact Mass460.25
IUPAC Namedipropan-2-yl (4R,5R)-2-[(E)-3-[dimethyl-(2,4,6-trimethylphenyl)silyl]prop-2-enyl]-1,3,2-dioxaborolane-4,5-dicarboxylate
SMILESCc1cc(C)c([Si](C)(C)/C=C/CB2O[C@@H](C(=O)OC(C)C)[C@H](C(=O)OC(C)C)O2)c(C)c1
InChIInChI=1S/C24H37BO6Si/c1-15(2)28-23(26)20-21(24(27)29-16(3)4)31-25(30-20)11-10-12-32(8,9)22-18(6)13-17(5)14-19(22)7/h10,12-16,20-21H,11H2,1-9H3/b12-10+/t20-,21-/m1/s1
InChIKeyPIMMVIQCAAEFRE-LTVLFBMZSA-N
XLogP3.80
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.45
LogP ≤ 53.80
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 dipropan-2-yl (4R,5R)-2-[(E)-3-[dimethyl-(2,4,6-trimethylphenyl)silyl]prop-2-enyl]-1,3,2-dioxaborolane-4,5-dicarboxylate?
The IUPAC name of dipropan-2-yl (4R,5R)-2-[(E)-3-[dimethyl-(2,4,6-trimethylphenyl)silyl]prop-2-enyl]-1,3,2-dioxaborolane-4,5-dicarboxylate (CID 10527946) is dipropan-2-yl (4R,5R)-2-[(E)-3-[dimethyl-(2,4,6-trimethylphenyl)silyl]prop-2-enyl]-1,3,2-dioxaborolane-4,5-dicarboxylate.
What is the SMILES notation for dipropan-2-yl (4R,5R)-2-[(E)-3-[dimethyl-(2,4,6-trimethylphenyl)silyl]prop-2-enyl]-1,3,2-dioxaborolane-4,5-dicarboxylate?
The canonical SMILES for dipropan-2-yl (4R,5R)-2-[(E)-3-[dimethyl-(2,4,6-trimethylphenyl)silyl]prop-2-enyl]-1,3,2-dioxaborolane-4,5-dicarboxylate is Cc1cc(C)c([Si](C)(C)/C=C/CB2O[C@@H](C(=O)OC(C)C)[C@H](C(=O)OC(C)C)O2)c(C)c1.
What is the InChIKey of dipropan-2-yl (4R,5R)-2-[(E)-3-[dimethyl-(2,4,6-trimethylphenyl)silyl]prop-2-enyl]-1,3,2-dioxaborolane-4,5-dicarboxylate?
The InChIKey is PIMMVIQCAAEFRE-LTVLFBMZSA-N. The full InChI is InChI=1S/C24H37BO6Si/c1-15(2)28-23(26)20-21(24(27)29-16(3)4)31-25(30-20)11-10-12-32(8,9)22-18(6)13-17(5)14-19(22)7/h10,12-16,20-21H,11H2,1-9H3/b12-10+/t20-,21-/m1/s1.
What are the key properties of dipropan-2-yl (4R,5R)-2-[(E)-3-[dimethyl-(2,4,6-trimethylphenyl)silyl]prop-2-enyl]-1,3,2-dioxaborolane-4,5-dicarboxylate?
dipropan-2-yl (4R,5R)-2-[(E)-3-[dimethyl-(2,4,6-trimethylphenyl)silyl]prop-2-enyl]-1,3,2-dioxaborolane-4,5-dicarboxylate has a molecular weight of 460.45 g/mol, XLogP of 3.80, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl (4R,5R)-2-[(E)-3-[dimethyl-(2,4,6-trimethylphenyl)silyl]prop-2-enyl]-1,3,2-dioxaborolane-4,5-dicarboxylate is sourced from PubChem (CID 10527946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).