tert-butyl N-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-[(1R,2R)-2-hydroxycyclopentyl]propyl]carbamate

C29H43NO4Si — CID 157218983

IUPACtert-butyl N-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-[(1R,2R)-2-hydroxycyclopentyl]propyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1CCC[C@H]1O
InChIInChI=1S/C29H43NO4Si/c1-28(2,3)34-27(32)30-25(24-18-13-19-26(24)31)20-21-33-35(29(4,5)6,22-14-9-7-10-15-22)23-16-11-8-12-17-23/h7-12,14-17,24-26,31H,13,18-21H2,1-6H3,(H,30,32)/t24-,25+,26-/m1/s1
InChIKeyRRBVOLUEKFYCMI-UODIDJSMSA-N
MW497.75 g/mol
LogP5.01
Rot. Bonds8

About tert-butyl N-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-[(1R,2R)-2-hydroxycyclopentyl]propyl]carbamate

tert-butyl N-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-[(1R,2R)-2-hydroxycyclopentyl]propyl]carbamate (PubChem CID 157218983) has the molecular formula C29H43NO4Si and a molecular weight of 497.75 g/mol. Its IUPAC name is tert-butyl N-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-[(1R,2R)-2-hydroxycyclopentyl]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-[(1R,2R)-2-hydroxycyclopentyl]propyl]carbamate
PubChem CID157218983
Molecular FormulaC29H43NO4Si
Molecular Weight497.75 g/mol
Exact Mass497.30
IUPAC Nametert-butyl N-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-[(1R,2R)-2-hydroxycyclopentyl]propyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1CCC[C@H]1O
InChIInChI=1S/C29H43NO4Si/c1-28(2,3)34-27(32)30-25(24-18-13-19-26(24)31)20-21-33-35(29(4,5)6,22-14-9-7-10-15-22)23-16-11-8-12-17-23/h7-12,14-17,24-26,31H,13,18-21H2,1-6H3,(H,30,32)/t24-,25+,26-/m1/s1
InChIKeyRRBVOLUEKFYCMI-UODIDJSMSA-N
XLogP5.01
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.75
LogP ≤ 55.01
H-Bond Donors ≤ 52
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 tert-butyl N-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-[(1R,2R)-2-hydroxycyclopentyl]propyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-[(1R,2R)-2-hydroxycyclopentyl]propyl]carbamate (CID 157218983) is tert-butyl N-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-[(1R,2R)-2-hydroxycyclopentyl]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-[(1R,2R)-2-hydroxycyclopentyl]propyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-[(1R,2R)-2-hydroxycyclopentyl]propyl]carbamate is CC(C)(C)OC(=O)N[C@@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1CCC[C@H]1O.
What is the InChIKey of tert-butyl N-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-[(1R,2R)-2-hydroxycyclopentyl]propyl]carbamate?
The InChIKey is RRBVOLUEKFYCMI-UODIDJSMSA-N. The full InChI is InChI=1S/C29H43NO4Si/c1-28(2,3)34-27(32)30-25(24-18-13-19-26(24)31)20-21-33-35(29(4,5)6,22-14-9-7-10-15-22)23-16-11-8-12-17-23/h7-12,14-17,24-26,31H,13,18-21H2,1-6H3,(H,30,32)/t24-,25+,26-/m1/s1.
What are the key properties of tert-butyl N-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-[(1R,2R)-2-hydroxycyclopentyl]propyl]carbamate?
tert-butyl N-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-[(1R,2R)-2-hydroxycyclopentyl]propyl]carbamate has a molecular weight of 497.75 g/mol, XLogP of 5.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-[(1R,2R)-2-hydroxycyclopentyl]propyl]carbamate is sourced from PubChem (CID 157218983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).