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

C19H38O5Si — CID 11234201

IUPACtert-butyl (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(C)(C)C
InChIInChI=1S/C19H38O5Si/c1-12-14(20)13(2)15(22-9)16(17(21)23-18(3,4)5)24-25(10,11)19(6,7)8/h13,15-16H,12H2,1-11H3/t13-,15+,16-/m1/s1
InChIKeyRGYDRGDHQQDHCK-VNQPRFMTSA-N
MW374.59 g/mol
LogP4.35
Rot. Bonds8

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

tert-butyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate (PubChem CID 11234201) has the molecular formula C19H38O5Si and a molecular weight of 374.59 g/mol. Its IUPAC name is tert-butyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate.

Molecular Properties

Compound Nametert-butyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate
PubChem CID11234201
Molecular FormulaC19H38O5Si
Molecular Weight374.59 g/mol
Exact Mass374.25
IUPAC Nametert-butyl (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(C)(C)C
InChIInChI=1S/C19H38O5Si/c1-12-14(20)13(2)15(22-9)16(17(21)23-18(3,4)5)24-25(10,11)19(6,7)8/h13,15-16H,12H2,1-11H3/t13-,15+,16-/m1/s1
InChIKeyRGYDRGDHQQDHCK-VNQPRFMTSA-N
XLogP4.35
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.59
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-O-tert-butyl 1-O-propan-2-yl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dioxooctanedioate
CID 11135482
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
tert-butyl (3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(2-oxoethyl)hexanoate
CID 134939507
1-O-butyl 4-O-methyl 2-(3-methylbutyl)-2-triethylsilyloxybutanedioate
CID 88965034
hexan-2-yl (3R)-2-methyl-5-oxo-3-trimethylsilyloxyhexadecanoate
CID 90904685
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
2-chloroethyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate
CID 11291960

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate?
The IUPAC name of tert-butyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate (CID 11234201) is tert-butyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate.
What is the SMILES notation for tert-butyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate?
The canonical SMILES for tert-butyl (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(C)(C)C.
What is the InChIKey of tert-butyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate?
The InChIKey is RGYDRGDHQQDHCK-VNQPRFMTSA-N. The full InChI is InChI=1S/C19H38O5Si/c1-12-14(20)13(2)15(22-9)16(17(21)23-18(3,4)5)24-25(10,11)19(6,7)8/h13,15-16H,12H2,1-11H3/t13-,15+,16-/m1/s1.
What are the key properties of tert-butyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate?
tert-butyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate has a molecular weight of 374.59 g/mol, XLogP of 4.35, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate is sourced from PubChem (CID 11234201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).