methyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate

C16H32O5Si — CID 101223327

IUPACmethyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate
SMILESCCC(=O)[C@@H](C)[C@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C16H32O5Si/c1-10-12(17)11(2)13(19-6)14(15(18)20-7)21-22(8,9)16(3,4)5/h11,13-14H,10H2,1-9H3/t11-,13+,14-/m1/s1
InChIKeyFKDONICBYGGAPK-KWCYVHTRSA-N
MW332.51 g/mol
LogP3.18
Rot. Bonds8

About methyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate

methyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate (PubChem CID 101223327) has the molecular formula C16H32O5Si and a molecular weight of 332.51 g/mol. Its IUPAC name is methyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate.

Molecular Properties

Compound Namemethyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate
PubChem CID101223327
Molecular FormulaC16H32O5Si
Molecular Weight332.51 g/mol
Exact Mass332.20
IUPAC Namemethyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate
SMILESCCC(=O)[C@@H](C)[C@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C16H32O5Si/c1-10-12(17)11(2)13(19-6)14(15(18)20-7)21-22(8,9)16(3,4)5/h11,13-14H,10H2,1-9H3/t11-,13+,14-/m1/s1
InChIKeyFKDONICBYGGAPK-KWCYVHTRSA-N
XLogP3.18
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate with MolForge

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Related Compounds

methyl 2-[(2S,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxooxan-2-yl]acetate
CID 134959796
2,3-Bis(trimethylsilyloxy)-4-methyloctanoic acid methyl ester
CID 129717592
methyl (3R)-2-hexyl-5-oxo-3-trimethylsilyloxyhexadecanoate
CID 91375503
methyl 2-[(2S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxooxan-2-yl]acetate
CID 173794841
Methyl 2-hexyl-5-oxo-3-trimethylsilyloxyhexadecanoate
CID 174447192
diethyl (2R,3S)-2-pentyl-3-trimethylsilyloxybutanedioate
CID 10735356
ethyl (2R,3S,4R)-4-methyl-6-oxo-2,3-bis[tri(propan-2-yl)silyloxy]heptanoate
CID 10929507
tert-butyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate
CID 11234201
2-chloroethyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate
CID 11291960
prop-2-enyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate
CID 11473830
methyl (2R)-2-[(2S,3R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-oxooxan-2-yl]propanoate
CID 23253300
methyl (2R)-2-[(2S,3S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-oxooxan-2-yl]propanoate
CID 23253301

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate?
The IUPAC name of methyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate (CID 101223327) is methyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate.
What is the SMILES notation for methyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate?
The canonical SMILES for methyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate is CCC(=O)[C@@H](C)[C@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)OC.
What is the InChIKey of methyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate?
The InChIKey is FKDONICBYGGAPK-KWCYVHTRSA-N. The full InChI is InChI=1S/C16H32O5Si/c1-10-12(17)11(2)13(19-6)14(15(18)20-7)21-22(8,9)16(3,4)5/h11,13-14H,10H2,1-9H3/t11-,13+,14-/m1/s1.
What are the key properties of methyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate?
methyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate has a molecular weight of 332.51 g/mol, XLogP of 3.18, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate is sourced from PubChem (CID 101223327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).