tert-butyl N-[(1S)-4-[hydroxy(diphenyl)silyl]-4-methyl-1-[(2S)-5-oxooxolan-2-yl]pentyl]carbamate

C27H37NO5Si — CID 71079575

IUPACtert-butyl N-[(1S)-4-[hydroxy(diphenyl)silyl]-4-methyl-1-[(2S)-5-oxooxolan-2-yl]pentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CCC(C)(C)[Si](O)(c1ccccc1)c1ccccc1)[C@@H]1CCC(=O)O1
InChIInChI=1S/C27H37NO5Si/c1-26(2,3)33-25(30)28-22(23-16-17-24(29)32-23)18-19-27(4,5)34(31,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,22-23,31H,16-19H2,1-5H3,(H,28,30)/t22-,23-/m0/s1
InChIKeyZCGUESDPAGMBMN-GOTSBHOMSA-N
MW483.68 g/mol
LogP3.90
Rot. Bonds8

About tert-butyl N-[(1S)-4-[hydroxy(diphenyl)silyl]-4-methyl-1-[(2S)-5-oxooxolan-2-yl]pentyl]carbamate

tert-butyl N-[(1S)-4-[hydroxy(diphenyl)silyl]-4-methyl-1-[(2S)-5-oxooxolan-2-yl]pentyl]carbamate (PubChem CID 71079575) has the molecular formula C27H37NO5Si and a molecular weight of 483.68 g/mol. Its IUPAC name is tert-butyl N-[(1S)-4-[hydroxy(diphenyl)silyl]-4-methyl-1-[(2S)-5-oxooxolan-2-yl]pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-4-[hydroxy(diphenyl)silyl]-4-methyl-1-[(2S)-5-oxooxolan-2-yl]pentyl]carbamate
PubChem CID71079575
Molecular FormulaC27H37NO5Si
Molecular Weight483.68 g/mol
Exact Mass483.24
IUPAC Nametert-butyl N-[(1S)-4-[hydroxy(diphenyl)silyl]-4-methyl-1-[(2S)-5-oxooxolan-2-yl]pentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CCC(C)(C)[Si](O)(c1ccccc1)c1ccccc1)[C@@H]1CCC(=O)O1
InChIInChI=1S/C27H37NO5Si/c1-26(2,3)33-25(30)28-22(23-16-17-24(29)32-23)18-19-27(4,5)34(31,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,22-23,31H,16-19H2,1-5H3,(H,28,30)/t22-,23-/m0/s1
InChIKeyZCGUESDPAGMBMN-GOTSBHOMSA-N
XLogP3.90
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.68
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(1R)-1-[(2S)-5-oxooxolan-2-yl]-2-phenylmethoxyethyl]carbamate
CID 10246340
tert-butyl N-[(1S)-3,3-dimethyl-1-[(2S)-5-oxooxolan-2-yl]-5-phenylmethoxypentyl]carbamate
CID 86752104
tert-butyl N-[(1S)-2-(3-fluorophenyl)-1-[(2S)-5-oxooxolan-2-yl]ethyl]carbamate
CID 10448866
tert-butyl N-[3-methyl-6-oxo-1-[(2R)-5-oxooxolan-2-yl]hexyl]carbamate
CID 87490293
tert-butyl N-[(2R)-6-[hydroxy(diphenyl)silyl]-1-iodo-6-methylheptan-2-yl]carbamate
CID 67477292
tert-butyl N-[(1S)-1-[(2S)-5-oxooxolan-2-yl]-2-[3-(pyridin-4-ylmethylidene)cyclohexyl]ethyl]carbamate
CID 70072321
tert-butyl N-[(1S,3S)-3-methyl-1-[(2S)-5-oxooxolan-2-yl]hex-5-enyl]carbamate
CID 68546548
tert-butyl N-[(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethyl]carbamate;tert-butyl N-[(1R)-1-[(2S)-oxiran-2-yl]-2-phenylethyl]carbamate
CID 160649461
tert-butyl N-[1-[(2S)-oxiran-2-yl]-2-phenylethyl]carbamate
CID 53216973
tert-butyl N-[(1S)-2-[3-[hydroxy(pyridin-3-yl)methyl]cyclohexyl]-1-[(2S)-5-oxooxolan-2-yl]ethyl]carbamate
CID 70070742
tert-butyl N-[1-[(4E)-4-benzylidene-5-oxooxolan-2-yl]-2-phenylethyl]carbamate
CID 169488047
tert-butyl N-[(1R)-3-hydroxy-1-[methyl(diphenyl)silyl]propyl]carbamate
CID 46221200

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-4-[hydroxy(diphenyl)silyl]-4-methyl-1-[(2S)-5-oxooxolan-2-yl]pentyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-4-[hydroxy(diphenyl)silyl]-4-methyl-1-[(2S)-5-oxooxolan-2-yl]pentyl]carbamate (CID 71079575) is tert-butyl N-[(1S)-4-[hydroxy(diphenyl)silyl]-4-methyl-1-[(2S)-5-oxooxolan-2-yl]pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-4-[hydroxy(diphenyl)silyl]-4-methyl-1-[(2S)-5-oxooxolan-2-yl]pentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-4-[hydroxy(diphenyl)silyl]-4-methyl-1-[(2S)-5-oxooxolan-2-yl]pentyl]carbamate is CC(C)(C)OC(=O)N[C@@H](CCC(C)(C)[Si](O)(c1ccccc1)c1ccccc1)[C@@H]1CCC(=O)O1.
What is the InChIKey of tert-butyl N-[(1S)-4-[hydroxy(diphenyl)silyl]-4-methyl-1-[(2S)-5-oxooxolan-2-yl]pentyl]carbamate?
The InChIKey is ZCGUESDPAGMBMN-GOTSBHOMSA-N. The full InChI is InChI=1S/C27H37NO5Si/c1-26(2,3)33-25(30)28-22(23-16-17-24(29)32-23)18-19-27(4,5)34(31,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,22-23,31H,16-19H2,1-5H3,(H,28,30)/t22-,23-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-4-[hydroxy(diphenyl)silyl]-4-methyl-1-[(2S)-5-oxooxolan-2-yl]pentyl]carbamate?
tert-butyl N-[(1S)-4-[hydroxy(diphenyl)silyl]-4-methyl-1-[(2S)-5-oxooxolan-2-yl]pentyl]carbamate has a molecular weight of 483.68 g/mol, XLogP of 3.90, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-4-[hydroxy(diphenyl)silyl]-4-methyl-1-[(2S)-5-oxooxolan-2-yl]pentyl]carbamate is sourced from PubChem (CID 71079575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).