tert-butyl N-[(2R)-6-[hydroxy(diphenyl)silyl]-1-iodo-6-methylheptan-2-yl]carbamate

C25H36INO3Si — CID 67477292

IUPACtert-butyl N-[(2R)-6-[hydroxy(diphenyl)silyl]-1-iodo-6-methylheptan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CI)CCCC(C)(C)[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H36INO3Si/c1-24(2,3)30-23(28)27-20(19-26)13-12-18-25(4,5)31(29,21-14-8-6-9-15-21)22-16-10-7-11-17-22/h6-11,14-17,20,29H,12-13,18-19H2,1-5H3,(H,27,28)/t20-/m1/s1
InChIKeyYKASXKLWIKYQTQ-HXUWFJFHSA-N
MW553.56 g/mol
LogP5.02
Rot. Bonds9

About tert-butyl N-[(2R)-6-[hydroxy(diphenyl)silyl]-1-iodo-6-methylheptan-2-yl]carbamate

tert-butyl N-[(2R)-6-[hydroxy(diphenyl)silyl]-1-iodo-6-methylheptan-2-yl]carbamate (PubChem CID 67477292) has the molecular formula C25H36INO3Si and a molecular weight of 553.56 g/mol. Its IUPAC name is tert-butyl N-[(2R)-6-[hydroxy(diphenyl)silyl]-1-iodo-6-methylheptan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-6-[hydroxy(diphenyl)silyl]-1-iodo-6-methylheptan-2-yl]carbamate
PubChem CID67477292
Molecular FormulaC25H36INO3Si
Molecular Weight553.56 g/mol
Exact Mass553.15
IUPAC Nametert-butyl N-[(2R)-6-[hydroxy(diphenyl)silyl]-1-iodo-6-methylheptan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CI)CCCC(C)(C)[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H36INO3Si/c1-24(2,3)30-23(28)27-20(19-26)13-12-18-25(4,5)31(29,21-14-8-6-9-15-21)22-16-10-7-11-17-22/h6-11,14-17,20,29H,12-13,18-19H2,1-5H3,(H,27,28)/t20-/m1/s1
InChIKeyYKASXKLWIKYQTQ-HXUWFJFHSA-N
XLogP5.02
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.56
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[(2S)-1-iodo-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamate
CID 135063763
tert-butyl N-[(1S)-4-[hydroxy(diphenyl)silyl]-4-methyl-1-[(2S)-5-oxooxolan-2-yl]pentyl]carbamate
CID 71079575
tert-butyl N-(1-iodopentan-2-yl)carbamate
CID 130004386
benzyl N-[(2R)-1-iodo-4-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]carbamate
CID 59008227
(3S)-4-iodo-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 118280254
tert-butyl N-(1,6-diphenylhexan-2-yl)carbamate
CID 57094161
(E,2R)-4-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-3-enoic acid
CID 139263768
tert-butyl N-[1-[methyl(diphenyl)silyl]pentyl]carbamate
CID 12045291
tert-butyl N-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-fluorobutan-2-yl]carbamate
CID 172759932
tert-butyl N-[(1R)-3-hydroxy-1-[methyl(diphenyl)silyl]propyl]carbamate
CID 46221200
tert-butyl N-[(2S,5S)-1-iodo-5-methylheptan-2-yl]carbamate
CID 88586039
tert-butyl N-[(2R)-1-phenylmethoxyhexan-2-yl]carbamate
CID 130835886

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-6-[hydroxy(diphenyl)silyl]-1-iodo-6-methylheptan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-6-[hydroxy(diphenyl)silyl]-1-iodo-6-methylheptan-2-yl]carbamate (CID 67477292) is tert-butyl N-[(2R)-6-[hydroxy(diphenyl)silyl]-1-iodo-6-methylheptan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-6-[hydroxy(diphenyl)silyl]-1-iodo-6-methylheptan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-6-[hydroxy(diphenyl)silyl]-1-iodo-6-methylheptan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@@H](CI)CCCC(C)(C)[Si](O)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl N-[(2R)-6-[hydroxy(diphenyl)silyl]-1-iodo-6-methylheptan-2-yl]carbamate?
The InChIKey is YKASXKLWIKYQTQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H36INO3Si/c1-24(2,3)30-23(28)27-20(19-26)13-12-18-25(4,5)31(29,21-14-8-6-9-15-21)22-16-10-7-11-17-22/h6-11,14-17,20,29H,12-13,18-19H2,1-5H3,(H,27,28)/t20-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-6-[hydroxy(diphenyl)silyl]-1-iodo-6-methylheptan-2-yl]carbamate?
tert-butyl N-[(2R)-6-[hydroxy(diphenyl)silyl]-1-iodo-6-methylheptan-2-yl]carbamate has a molecular weight of 553.56 g/mol, XLogP of 5.02, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-6-[hydroxy(diphenyl)silyl]-1-iodo-6-methylheptan-2-yl]carbamate is sourced from PubChem (CID 67477292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).