tert-butyl N-[(2R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methoxypentan-2-yl]carbamate

C17H37NO4Si — CID 164575135

IUPACtert-butyl N-[(2R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methoxypentan-2-yl]carbamate
SMILESCOC[C@@H](CCCO[Si](C)(C)C(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H37NO4Si/c1-16(2,3)22-15(19)18-14(13-20-7)11-10-12-21-23(8,9)17(4,5)6/h14H,10-13H2,1-9H3,(H,18,19)/t14-/m1/s1
InChIKeyRQHLSJGFZCYFST-CQSZACIVSA-N
MW347.57 g/mol
LogP4.33
Rot. Bonds8

About tert-butyl N-[(2R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methoxypentan-2-yl]carbamate

tert-butyl N-[(2R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methoxypentan-2-yl]carbamate (PubChem CID 164575135) has the molecular formula C17H37NO4Si and a molecular weight of 347.57 g/mol. Its IUPAC name is tert-butyl N-[(2R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methoxypentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methoxypentan-2-yl]carbamate
PubChem CID164575135
Molecular FormulaC17H37NO4Si
Molecular Weight347.57 g/mol
Exact Mass347.25
IUPAC Nametert-butyl N-[(2R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methoxypentan-2-yl]carbamate
SMILESCOC[C@@H](CCCO[Si](C)(C)C(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H37NO4Si/c1-16(2,3)22-15(19)18-14(13-20-7)11-10-12-21-23(8,9)17(4,5)6/h14H,10-13H2,1-9H3,(H,18,19)/t14-/m1/s1
InChIKeyRQHLSJGFZCYFST-CQSZACIVSA-N
XLogP4.33
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.57
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(2S)-1-methoxy-6-(methylamino)hexan-2-yl]carbamate
CID 152912465
tert-butyl N-[(2S)-4-hydroxy-1-methoxybutan-2-yl]carbamate
CID 53259998
(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 87219695
tert-butyl N-[(2S)-1-methoxybutan-2-yl]carbamate
CID 46941495
tert-butyl N-[(2R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-prop-2-enoxypropan-2-yl]carbamate
CID 175984659
methyl N-[4-[[5-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypentan-2-yl]amino]-4-oxobut-2-ynyl]carbamate
CID 10595472
tert-butyl N-[6-[hexoxy(dimethyl)silyl]-6-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]heptan-4-yl]carbamate
CID 87488630
(4R)-5-methoxy-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 170910958
tert-butyl N-[(2S,3R)-3-amino-1-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]carbamate
CID 58901310
tert-butyl N-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropan-2-yl]carbamate
CID 11314550
tert-butyl N-[(2S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyheptadecan-2-yl]carbamate
CID 11752411
(2S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol
CID 163365178

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methoxypentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methoxypentan-2-yl]carbamate (CID 164575135) is tert-butyl N-[(2R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methoxypentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methoxypentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methoxypentan-2-yl]carbamate is COC[C@@H](CCCO[Si](C)(C)C(C)(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methoxypentan-2-yl]carbamate?
The InChIKey is RQHLSJGFZCYFST-CQSZACIVSA-N. The full InChI is InChI=1S/C17H37NO4Si/c1-16(2,3)22-15(19)18-14(13-20-7)11-10-12-21-23(8,9)17(4,5)6/h14H,10-13H2,1-9H3,(H,18,19)/t14-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methoxypentan-2-yl]carbamate?
tert-butyl N-[(2R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methoxypentan-2-yl]carbamate has a molecular weight of 347.57 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methoxypentan-2-yl]carbamate is sourced from PubChem (CID 164575135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).