tert-butyl N-[(3S)-4-diphenylsilyloxy-1-hydroxy-5,5-dimethylhexan-3-yl]carbamate

C25H37NO4Si — CID 173184420

IUPACtert-butyl N-[(3S)-4-diphenylsilyloxy-1-hydroxy-5,5-dimethylhexan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CCO)C(O[SiH](c1ccccc1)c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H37NO4Si/c1-24(2,3)22(21(17-18-27)26-23(28)29-25(4,5)6)30-31(19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,21-22,27,31H,17-18H2,1-6H3,(H,26,28)/t21-,22?/m0/s1
InChIKeyPPCXBNIXIGIQKV-HMTLIYDFSA-N
MW443.66 g/mol
LogP3.23
Rot. Bonds8

About tert-butyl N-[(3S)-4-diphenylsilyloxy-1-hydroxy-5,5-dimethylhexan-3-yl]carbamate

tert-butyl N-[(3S)-4-diphenylsilyloxy-1-hydroxy-5,5-dimethylhexan-3-yl]carbamate (PubChem CID 173184420) has the molecular formula C25H37NO4Si and a molecular weight of 443.66 g/mol. Its IUPAC name is tert-butyl N-[(3S)-4-diphenylsilyloxy-1-hydroxy-5,5-dimethylhexan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S)-4-diphenylsilyloxy-1-hydroxy-5,5-dimethylhexan-3-yl]carbamate
PubChem CID173184420
Molecular FormulaC25H37NO4Si
Molecular Weight443.66 g/mol
Exact Mass443.25
IUPAC Nametert-butyl N-[(3S)-4-diphenylsilyloxy-1-hydroxy-5,5-dimethylhexan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CCO)C(O[SiH](c1ccccc1)c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H37NO4Si/c1-24(2,3)22(21(17-18-27)26-23(28)29-25(4,5)6)30-31(19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,21-22,27,31H,17-18H2,1-6H3,(H,26,28)/t21-,22?/m0/s1
InChIKeyPPCXBNIXIGIQKV-HMTLIYDFSA-N
XLogP3.23
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.66
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(1R)-3-hydroxy-1-[methyl(diphenyl)silyl]propyl]carbamate
CID 46221200
tert-butyl N-(3-methyl-1-phenylbutan-2-yl)carbamate
CID 10491812
tert-butyl N-(6-hydroxy-2-methylhexan-3-yl)carbamate
CID 85361327
tert-butyl N-[3-hydroxy-1-(4-hydroxyphenyl)-1-phenylpropan-2-yl]carbamate
CID 122360905
tert-butyl N-(2-phenyl-1-trimethylsilylethyl)carbamate
CID 22399693
tert-butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate;sulfane
CID 159653133
1,1'-biphenyl;tert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate
CID 175560778
tert-butyl N-[(2S)-3-hydroxy-4-methyl-1-phenylpent-4-en-2-yl]carbamate
CID 11150475
tert-butyl N-[(2S)-3-fluoro-1-phenylpent-4-en-2-yl]carbamate
CID 102278751
tert-butyl N-[(2R)-3-methyl-1-[(2-phenylacetyl)amino]butan-2-yl]carbamate
CID 86611436
(2S)-4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 13066457
tert-butyl N-[2,3-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-diphenylbutyl]carbamate
CID 15294700

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S)-4-diphenylsilyloxy-1-hydroxy-5,5-dimethylhexan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S)-4-diphenylsilyloxy-1-hydroxy-5,5-dimethylhexan-3-yl]carbamate (CID 173184420) is tert-butyl N-[(3S)-4-diphenylsilyloxy-1-hydroxy-5,5-dimethylhexan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S)-4-diphenylsilyloxy-1-hydroxy-5,5-dimethylhexan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S)-4-diphenylsilyloxy-1-hydroxy-5,5-dimethylhexan-3-yl]carbamate is CC(C)(C)OC(=O)N[C@@H](CCO)C(O[SiH](c1ccccc1)c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl N-[(3S)-4-diphenylsilyloxy-1-hydroxy-5,5-dimethylhexan-3-yl]carbamate?
The InChIKey is PPCXBNIXIGIQKV-HMTLIYDFSA-N. The full InChI is InChI=1S/C25H37NO4Si/c1-24(2,3)22(21(17-18-27)26-23(28)29-25(4,5)6)30-31(19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,21-22,27,31H,17-18H2,1-6H3,(H,26,28)/t21-,22?/m0/s1.
What are the key properties of tert-butyl N-[(3S)-4-diphenylsilyloxy-1-hydroxy-5,5-dimethylhexan-3-yl]carbamate?
tert-butyl N-[(3S)-4-diphenylsilyloxy-1-hydroxy-5,5-dimethylhexan-3-yl]carbamate has a molecular weight of 443.66 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S)-4-diphenylsilyloxy-1-hydroxy-5,5-dimethylhexan-3-yl]carbamate is sourced from PubChem (CID 173184420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).