methyl N-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2,5,5-trimethyl-4-oxohexan-3-yl]carbamate

C17H35NO4Si — CID 59470831

IUPACmethyl N-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2,5,5-trimethyl-4-oxohexan-3-yl]carbamate
SMILESCOC(=O)N[C@H](C(=O)C(C)(C)C)[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H35NO4Si/c1-12(11-22-23(9,10)17(5,6)7)13(18-15(20)21-8)14(19)16(2,3)4/h12-13H,11H2,1-10H3,(H,18,20)/t12-,13+/m1/s1
InChIKeyVHXXOMGCNAQJNW-OLZOCXBDSA-N
MW345.56 g/mol
LogP3.98
Rot. Bonds6

About methyl N-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2,5,5-trimethyl-4-oxohexan-3-yl]carbamate

methyl N-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2,5,5-trimethyl-4-oxohexan-3-yl]carbamate (PubChem CID 59470831) has the molecular formula C17H35NO4Si and a molecular weight of 345.56 g/mol. Its IUPAC name is methyl N-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2,5,5-trimethyl-4-oxohexan-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2,5,5-trimethyl-4-oxohexan-3-yl]carbamate
PubChem CID59470831
Molecular FormulaC17H35NO4Si
Molecular Weight345.56 g/mol
Exact Mass345.23
IUPAC Namemethyl N-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2,5,5-trimethyl-4-oxohexan-3-yl]carbamate
SMILESCOC(=O)N[C@H](C(=O)C(C)(C)C)[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H35NO4Si/c1-12(11-22-23(9,10)17(5,6)7)13(18-15(20)21-8)14(19)16(2,3)4/h12-13H,11H2,1-10H3,(H,18,20)/t12-,13+/m1/s1
InChIKeyVHXXOMGCNAQJNW-OLZOCXBDSA-N
XLogP3.98
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.56
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl N-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2,5,5-trimethyl-4-oxohexan-3-yl]carbamate with MolForge

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Related Compounds

methyl N-[(2S,3R)-2-hydroxy-5,5-dimethyl-4-oxohexan-3-yl]carbamate
CID 59450089
methyl N-[(3S)-2-methoxy-5,5-dimethyl-4-oxohexan-3-yl]carbamate
CID 130396767
methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
CID 11817464
tert-butyl N-[(2S,3R)-3-amino-1-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]carbamate
CID 58901310
(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic acid
CID 16743318
ethyl (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate
CID 11278132
(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid
CID 87766399
(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 87219695
(5S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,6-dimethylheptan-3-one
CID 101412599
sodium (2R,3R)-2-amino-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
CID 23697835
methyl (4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate
CID 11737070
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2,5,5-trimethyl-4-oxohexan-3-yl]carbamate?
The IUPAC name of methyl N-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2,5,5-trimethyl-4-oxohexan-3-yl]carbamate (CID 59470831) is methyl N-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2,5,5-trimethyl-4-oxohexan-3-yl]carbamate.
What is the SMILES notation for methyl N-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2,5,5-trimethyl-4-oxohexan-3-yl]carbamate?
The canonical SMILES for methyl N-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2,5,5-trimethyl-4-oxohexan-3-yl]carbamate is COC(=O)N[C@H](C(=O)C(C)(C)C)[C@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl N-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2,5,5-trimethyl-4-oxohexan-3-yl]carbamate?
The InChIKey is VHXXOMGCNAQJNW-OLZOCXBDSA-N. The full InChI is InChI=1S/C17H35NO4Si/c1-12(11-22-23(9,10)17(5,6)7)13(18-15(20)21-8)14(19)16(2,3)4/h12-13H,11H2,1-10H3,(H,18,20)/t12-,13+/m1/s1.
What are the key properties of methyl N-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2,5,5-trimethyl-4-oxohexan-3-yl]carbamate?
methyl N-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2,5,5-trimethyl-4-oxohexan-3-yl]carbamate has a molecular weight of 345.56 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2,5,5-trimethyl-4-oxohexan-3-yl]carbamate is sourced from PubChem (CID 59470831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).