tert-butyl N-[(1S,2S,6R)-2-[tert-butyl(diphenyl)silyl]oxy-6-hydroxycyclohex-3-en-1-yl]carbamate

C27H37NO4Si — CID 102450335

IUPACtert-butyl N-[(1S,2S,6R)-2-[tert-butyl(diphenyl)silyl]oxy-6-hydroxycyclohex-3-en-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1[C@H](O)CC=C[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H37NO4Si/c1-26(2,3)31-25(30)28-24-22(29)18-13-19-23(24)32-33(27(4,5)6,20-14-9-7-10-15-20)21-16-11-8-12-17-21/h7-17,19,22-24,29H,18H2,1-6H3,(H,28,30)/t22-,23+,24+/m1/s1
InChIKeyQHRDUJKFCKNYKI-SGNDLWITSA-N
MW467.68 g/mol
LogP4.15
Rot. Bonds5

About tert-butyl N-[(1S,2S,6R)-2-[tert-butyl(diphenyl)silyl]oxy-6-hydroxycyclohex-3-en-1-yl]carbamate

tert-butyl N-[(1S,2S,6R)-2-[tert-butyl(diphenyl)silyl]oxy-6-hydroxycyclohex-3-en-1-yl]carbamate (PubChem CID 102450335) has the molecular formula C27H37NO4Si and a molecular weight of 467.68 g/mol. Its IUPAC name is tert-butyl N-[(1S,2S,6R)-2-[tert-butyl(diphenyl)silyl]oxy-6-hydroxycyclohex-3-en-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,2S,6R)-2-[tert-butyl(diphenyl)silyl]oxy-6-hydroxycyclohex-3-en-1-yl]carbamate
PubChem CID102450335
Molecular FormulaC27H37NO4Si
Molecular Weight467.68 g/mol
Exact Mass467.25
IUPAC Nametert-butyl N-[(1S,2S,6R)-2-[tert-butyl(diphenyl)silyl]oxy-6-hydroxycyclohex-3-en-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1[C@H](O)CC=C[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H37NO4Si/c1-26(2,3)31-25(30)28-24-22(29)18-13-19-23(24)32-33(27(4,5)6,20-14-9-7-10-15-20)21-16-11-8-12-17-21/h7-17,19,22-24,29H,18H2,1-6H3,(H,28,30)/t22-,23+,24+/m1/s1
InChIKeyQHRDUJKFCKNYKI-SGNDLWITSA-N
XLogP4.15
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.68
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (R)-(1-((tert-butyldiphenylsilyl)oxy)-3-hydroxypropan-2-yl)carbamate
CID 10960965
tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxyheptadecan-2-yl]carbamate
CID 162651894
tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(fluoromethyl)pentan-2-yl]carbamate
CID 12111289
tert-butyl N-[(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypent-4-en-2-yl]carbamate
CID 44220524
(S)-tert-butyl(1-((tert-butyldiphenylsilyl)oxy)-4-hydroxybutan-2-yl)carbamate
CID 69358153
tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-iodobutan-2-yl]carbamate
CID 69359165
tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate
CID 162415527
(2S,3R)-2-tert-Butoxycarbonylamino-3-(tert-butyl-diphenyl-silanyloxy)-butyric acid
CID 86709669
tert-butyl N-[(2R,3S)-1-[tert-butyl(diphenyl)silyl]oxy-5,5,5-trifluoro-3-(2-hydroxyethyl)pentan-2-yl]carbamate
CID 176319448
tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2-methylpropan-2-yl]carbamate
CID 10718124
(4R,5R)-4-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-5-ethyl-1,3-oxazolidin-2-one
CID 11281400
tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]carbamate
CID 11618502

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,2S,6R)-2-[tert-butyl(diphenyl)silyl]oxy-6-hydroxycyclohex-3-en-1-yl]carbamate?
The IUPAC name of tert-butyl N-[(1S,2S,6R)-2-[tert-butyl(diphenyl)silyl]oxy-6-hydroxycyclohex-3-en-1-yl]carbamate (CID 102450335) is tert-butyl N-[(1S,2S,6R)-2-[tert-butyl(diphenyl)silyl]oxy-6-hydroxycyclohex-3-en-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,2S,6R)-2-[tert-butyl(diphenyl)silyl]oxy-6-hydroxycyclohex-3-en-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,2S,6R)-2-[tert-butyl(diphenyl)silyl]oxy-6-hydroxycyclohex-3-en-1-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1[C@H](O)CC=C[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl N-[(1S,2S,6R)-2-[tert-butyl(diphenyl)silyl]oxy-6-hydroxycyclohex-3-en-1-yl]carbamate?
The InChIKey is QHRDUJKFCKNYKI-SGNDLWITSA-N. The full InChI is InChI=1S/C27H37NO4Si/c1-26(2,3)31-25(30)28-24-22(29)18-13-19-23(24)32-33(27(4,5)6,20-14-9-7-10-15-20)21-16-11-8-12-17-21/h7-17,19,22-24,29H,18H2,1-6H3,(H,28,30)/t22-,23+,24+/m1/s1.
What are the key properties of tert-butyl N-[(1S,2S,6R)-2-[tert-butyl(diphenyl)silyl]oxy-6-hydroxycyclohex-3-en-1-yl]carbamate?
tert-butyl N-[(1S,2S,6R)-2-[tert-butyl(diphenyl)silyl]oxy-6-hydroxycyclohex-3-en-1-yl]carbamate has a molecular weight of 467.68 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,2S,6R)-2-[tert-butyl(diphenyl)silyl]oxy-6-hydroxycyclohex-3-en-1-yl]carbamate is sourced from PubChem (CID 102450335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).