(4R)-3-[(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldecanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C23H45NO4Si — CID 138970673

IUPAC(4R)-3-[(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldecanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCCCCC[C@H](CC[C@H](C)C(=O)N1C(=O)OC[C@H]1C(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H45NO4Si/c1-10-11-12-13-19(28-29(8,9)23(5,6)7)15-14-18(4)21(25)24-20(17(2)3)16-27-22(24)26/h17-20H,10-16H2,1-9H3/t18-,19+,20-/m0/s1
InChIKeyAPUYXPCBQGZPEH-ZCNNSNEGSA-N
MW427.70 g/mol
LogP6.38
Rot. Bonds11

About (4R)-3-[(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldecanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4R)-3-[(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldecanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 138970673) has the molecular formula C23H45NO4Si and a molecular weight of 427.70 g/mol. Its IUPAC name is (4R)-3-[(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldecanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldecanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID138970673
Molecular FormulaC23H45NO4Si
Molecular Weight427.70 g/mol
Exact Mass427.31
IUPAC Name(4R)-3-[(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldecanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCCCCC[C@H](CC[C@H](C)C(=O)N1C(=O)OC[C@H]1C(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H45NO4Si/c1-10-11-12-13-19(28-29(8,9)23(5,6)7)15-14-18(4)21(25)24-20(17(2)3)16-27-22(24)26/h17-20H,10-16H2,1-9H3/t18-,19+,20-/m0/s1
InChIKeyAPUYXPCBQGZPEH-ZCNNSNEGSA-N
XLogP6.38
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.70
LogP ≤ 56.38
H-Bond Donors ≤ 50
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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Launch Full Analysis

Related Compounds

(4S)-3-[(2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 15838478
(4S)-3-[(2R,4S,5R,6R)-5-(methoxymethoxy)-2,4,6-trimethyloctanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 102443691
(4R)-3-[5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 164675286
tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(4-ethoxy-3-methyl-4-oxobutyl)pyrrolidine-1-carboxylate
CID 22864765
2-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]ethyl 3-cyclopentylpropanoate
CID 57893875
tert-butyl (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2-oxopyrrolidine-1-carboxylate
CID 57951802
tert-butyl (3S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2-oxopyrrolidine-1-carboxylate
CID 57951857
tert-butyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-deuterio-5-oxo-4-(trideuterio(112C)methyl)pyrrolidine-1-carboxylate
CID 58618338
3-[6-[Tert-butyl(dimethyl)silyl]oxy-2-methylhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 85447978
tert-butyl (2S,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-deuterio-5-oxo-4-(trideuteriomethyl)pyrrolidine-1-carboxylate
CID 140491603
3-[6-[Tert-butyl(dimethyl)silyl]oxyhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 153753439
tert-butyl (3S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2-oxopyrrolidine-1-carboxylate
CID 162117462

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldecanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldecanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 138970673) is (4R)-3-[(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldecanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldecanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldecanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CCCCC[C@H](CC[C@H](C)C(=O)N1C(=O)OC[C@H]1C(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R)-3-[(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldecanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is APUYXPCBQGZPEH-ZCNNSNEGSA-N. The full InChI is InChI=1S/C23H45NO4Si/c1-10-11-12-13-19(28-29(8,9)23(5,6)7)15-14-18(4)21(25)24-20(17(2)3)16-27-22(24)26/h17-20H,10-16H2,1-9H3/t18-,19+,20-/m0/s1.
What are the key properties of (4R)-3-[(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldecanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4R)-3-[(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldecanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 427.70 g/mol, XLogP of 6.38, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldecanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 138970673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).