3-[6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C19H37NO4Si — CID 85447978

IUPAC3-[6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(CCCCO[Si](C)(C)C(C)(C)C)C(=O)N1C(=O)OCC1C(C)C
InChIInChI=1S/C19H37NO4Si/c1-14(2)16-13-23-18(22)20(16)17(21)15(3)11-9-10-12-24-25(7,8)19(4,5)6/h14-16H,9-13H2,1-8H3
InChIKeyPXQAYUYKRCWQFY-UHFFFAOYSA-N
MW371.59 g/mol
LogP4.82
Rot. Bonds8

About 3-[6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

3-[6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 85447978) has the molecular formula C19H37NO4Si and a molecular weight of 371.59 g/mol. Its IUPAC name is 3-[6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID85447978
Molecular FormulaC19H37NO4Si
Molecular Weight371.59 g/mol
Exact Mass371.25
IUPAC Name3-[6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(CCCCO[Si](C)(C)C(C)(C)C)C(=O)N1C(=O)OCC1C(C)C
InChIInChI=1S/C19H37NO4Si/c1-14(2)16-13-23-18(22)20(16)17(21)15(3)11-9-10-12-24-25(7,8)19(4,5)6/h14-16H,9-13H2,1-8H3
InChIKeyPXQAYUYKRCWQFY-UHFFFAOYSA-N
XLogP4.82
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.59
LogP ≤ 54.82
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'}

Analyze 3-[6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one with MolForge

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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
(4R)-3-[(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldecanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 138970673
(4R)-3-[5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 164675286
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
6-[(2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylpyrrolidin-1-yl]-6-oxohexanoic acid
CID 89867272
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 (2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxopyrrolidine-1-carboxylate
CID 156636351
tert-butyl (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxopyrrolidine-1-carboxylate
CID 156636364
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 3-[6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 85447978) is 3-[6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(CCCCO[Si](C)(C)C(C)(C)C)C(=O)N1C(=O)OCC1C(C)C.
What is the InChIKey of 3-[6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is PXQAYUYKRCWQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO4Si/c1-14(2)16-13-23-18(22)20(16)17(21)15(3)11-9-10-12-24-25(7,8)19(4,5)6/h14-16H,9-13H2,1-8H3.
What are the key properties of 3-[6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
3-[6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 371.59 g/mol, XLogP of 4.82, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 85447978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).