propan-2-yl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propan-2-yl]carbamate

C25H44BNO6Si — CID 140702072

IUPACpropan-2-yl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propan-2-yl]carbamate
SMILESCC(C)OC(=O)N[C@H](COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H44BNO6Si/c1-18(2)31-22(28)27-20(17-30-34(10,11)23(3,4)5)16-29-21-14-12-19(13-15-21)26-32-24(6,7)25(8,9)33-26/h12-15,18,20H,16-17H2,1-11H3,(H,27,28)/t20-/m1/s1
InChIKeyCOVBOQXIPSLMNG-HXUWFJFHSA-N
MW493.53 g/mol
LogP4.89
Rot. Bonds9

About propan-2-yl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propan-2-yl]carbamate

propan-2-yl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propan-2-yl]carbamate (PubChem CID 140702072) has the molecular formula C25H44BNO6Si and a molecular weight of 493.53 g/mol. Its IUPAC name is propan-2-yl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propan-2-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propan-2-yl]carbamate
PubChem CID140702072
Molecular FormulaC25H44BNO6Si
Molecular Weight493.53 g/mol
Exact Mass493.30
IUPAC Namepropan-2-yl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propan-2-yl]carbamate
SMILESCC(C)OC(=O)N[C@H](COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H44BNO6Si/c1-18(2)31-22(28)27-20(17-30-34(10,11)23(3,4)5)16-29-21-14-12-19(13-15-21)26-32-24(6,7)25(8,9)33-26/h12-15,18,20H,16-17H2,1-11H3,(H,27,28)/t20-/m1/s1
InChIKeyCOVBOQXIPSLMNG-HXUWFJFHSA-N
XLogP4.89
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.53
LogP ≤ 54.89
H-Bond Donors ≤ 51
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 propan-2-yl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propan-2-yl]carbamate?
The IUPAC name of propan-2-yl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propan-2-yl]carbamate (CID 140702072) is propan-2-yl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propan-2-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propan-2-yl]carbamate?
The canonical SMILES for propan-2-yl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propan-2-yl]carbamate is CC(C)OC(=O)N[C@H](COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of propan-2-yl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propan-2-yl]carbamate?
The InChIKey is COVBOQXIPSLMNG-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H44BNO6Si/c1-18(2)31-22(28)27-20(17-30-34(10,11)23(3,4)5)16-29-21-14-12-19(13-15-21)26-32-24(6,7)25(8,9)33-26/h12-15,18,20H,16-17H2,1-11H3,(H,27,28)/t20-/m1/s1.
What are the key properties of propan-2-yl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propan-2-yl]carbamate?
propan-2-yl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propan-2-yl]carbamate has a molecular weight of 493.53 g/mol, XLogP of 4.89, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propan-2-yl]carbamate is sourced from PubChem (CID 140702072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).