[(1R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl] N-tert-butylcarbamate

C20H30BNO4 — CID 175190815

IUPAC[(1R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)O[C@@H]1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21
InChIInChI=1S/C20H30BNO4/c1-18(2,3)22-17(23)24-16-12-11-13-14(16)9-8-10-15(13)21-25-19(4,5)20(6,7)26-21/h8-10,16H,11-12H2,1-7H3,(H,22,23)/t16-/m1/s1
InChIKeyAZEOQOYBEFCDHE-MRXNPFEDSA-N
MW359.28 g/mol
LogP3.50
Rot. Bonds2

About [(1R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl] N-tert-butylcarbamate

[(1R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl] N-tert-butylcarbamate (PubChem CID 175190815) has the molecular formula C20H30BNO4 and a molecular weight of 359.28 g/mol. Its IUPAC name is [(1R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[(1R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl] N-tert-butylcarbamate
PubChem CID175190815
Molecular FormulaC20H30BNO4
Molecular Weight359.28 g/mol
Exact Mass359.23
IUPAC Name[(1R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)O[C@@H]1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21
InChIInChI=1S/C20H30BNO4/c1-18(2,3)22-17(23)24-16-12-11-13-14(16)9-8-10-15(13)21-25-19(4,5)20(6,7)26-21/h8-10,16H,11-12H2,1-7H3,(H,22,23)/t16-/m1/s1
InChIKeyAZEOQOYBEFCDHE-MRXNPFEDSA-N
XLogP3.50
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.28
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 [(1R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl] N-tert-butylcarbamate?
The IUPAC name of [(1R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl] N-tert-butylcarbamate (CID 175190815) is [(1R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl] N-tert-butylcarbamate.
What is the SMILES notation for [(1R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl] N-tert-butylcarbamate?
The canonical SMILES for [(1R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl] N-tert-butylcarbamate is CC(C)(C)NC(=O)O[C@@H]1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21.
What is the InChIKey of [(1R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl] N-tert-butylcarbamate?
The InChIKey is AZEOQOYBEFCDHE-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H30BNO4/c1-18(2,3)22-17(23)24-16-12-11-13-14(16)9-8-10-15(13)21-25-19(4,5)20(6,7)26-21/h8-10,16H,11-12H2,1-7H3,(H,22,23)/t16-/m1/s1.
What are the key properties of [(1R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl] N-tert-butylcarbamate?
[(1R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl] N-tert-butylcarbamate has a molecular weight of 359.28 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl] N-tert-butylcarbamate is sourced from PubChem (CID 175190815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).