tert-butyl (4S)-2,2-dimethyl-4-(3-trimethylsilylhepta-1,2-dienyl)-1,3-oxazolidine-3-carboxylate

C20H37NO3Si — CID 10714029

IUPACtert-butyl (4S)-2,2-dimethyl-4-(3-trimethylsilylhepta-1,2-dienyl)-1,3-oxazolidine-3-carboxylate
SMILESCCCCC(=C=C[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C20H37NO3Si/c1-10-11-12-17(25(7,8)9)14-13-16-15-23-20(5,6)21(16)18(22)24-19(2,3)4/h13,16H,10-12,15H2,1-9H3/t14?,16-/m0/s1
InChIKeyLYJWQBRRDVZFIN-WMCAAGNKSA-N
MW367.61 g/mol
LogP5.51
Rot. Bonds5

About tert-butyl (4S)-2,2-dimethyl-4-(3-trimethylsilylhepta-1,2-dienyl)-1,3-oxazolidine-3-carboxylate

tert-butyl (4S)-2,2-dimethyl-4-(3-trimethylsilylhepta-1,2-dienyl)-1,3-oxazolidine-3-carboxylate (PubChem CID 10714029) has the molecular formula C20H37NO3Si and a molecular weight of 367.61 g/mol. Its IUPAC name is tert-butyl (4S)-2,2-dimethyl-4-(3-trimethylsilylhepta-1,2-dienyl)-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-2,2-dimethyl-4-(3-trimethylsilylhepta-1,2-dienyl)-1,3-oxazolidine-3-carboxylate
PubChem CID10714029
Molecular FormulaC20H37NO3Si
Molecular Weight367.61 g/mol
Exact Mass367.25
IUPAC Nametert-butyl (4S)-2,2-dimethyl-4-(3-trimethylsilylhepta-1,2-dienyl)-1,3-oxazolidine-3-carboxylate
SMILESCCCCC(=C=C[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C20H37NO3Si/c1-10-11-12-17(25(7,8)9)14-13-16-15-23-20(5,6)21(16)18(22)24-19(2,3)4/h13,16H,10-12,15H2,1-9H3/t14?,16-/m0/s1
InChIKeyLYJWQBRRDVZFIN-WMCAAGNKSA-N
XLogP5.51
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.61
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (4R)-2,2-dimethyl-4-[(E)-2-trimethylsilylethenyl]-1,3-oxazolidine-3-carboxylate
CID 11141095
tert-butyl (4R)-2,2-dimethyl-4-(3-trimethylsilylpropa-1,2-dienyl)-1,3-oxazolidine-3-carboxylate
CID 102278746
tert-butyl (4R)-2,2-dimethyl-4-[(E)-3-trimethylsilylprop-1-enyl]-1,3-oxazolidine-3-carboxylate
CID 57801792
tert-butyl (4S)-2,2-dimethyl-4-(3-trimethylsilylbuta-1,2-dienyl)-1,3-oxazolidine-3-carboxylate
CID 10616070
tert-butyl (4S)-4-(3-bromo-3-trimethylsilylpropa-1,2-dienyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10644102
tert-butyl (4R)-2,2-dimethyl-4-[(Z)-3-trimethylsilylprop-1-enyl]-1,3-oxazolidine-3-carboxylate
CID 102184012
tert-butyl (4R)-4-(3-bromo-3-trimethylsilylpropa-1,2-dienyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 102447101
tert-butyl (4R)-2,2-dimethyl-4-[(Z)-7-trimethylsilylhept-1-en-6-ynyl]-1,3-oxazolidine-3-carboxylate
CID 59534301
Tert-butyl-(4r)-2,2-dimethyl-4-(3-trimethylsilanyl-propenyl)-1,3-oxazolidine-3-carboxylate
CID 68858073
tert-butyl (4R)-2,2-dimethyl-4-(7-trimethylsilylhept-1-en-6-ynyl)-1,3-oxazolidine-3-carboxylate
CID 91358123
tert-butyl (4R)-2,2-dimethyl-4-[(E)-2-(2-trimethylsilylethoxy)ethenyl]-1,3-oxazolidine-3-carboxylate
CID 140452879
tert-butyl 2,2-dimethyl-4-[(E)-2-(2-trimethylsilylethoxy)ethenyl]-1,3-oxazolidine-3-carboxylate
CID 145844372

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-2,2-dimethyl-4-(3-trimethylsilylhepta-1,2-dienyl)-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-2,2-dimethyl-4-(3-trimethylsilylhepta-1,2-dienyl)-1,3-oxazolidine-3-carboxylate (CID 10714029) is tert-butyl (4S)-2,2-dimethyl-4-(3-trimethylsilylhepta-1,2-dienyl)-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-2,2-dimethyl-4-(3-trimethylsilylhepta-1,2-dienyl)-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-2,2-dimethyl-4-(3-trimethylsilylhepta-1,2-dienyl)-1,3-oxazolidine-3-carboxylate is CCCCC(=C=C[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C)[Si](C)(C)C.
What is the InChIKey of tert-butyl (4S)-2,2-dimethyl-4-(3-trimethylsilylhepta-1,2-dienyl)-1,3-oxazolidine-3-carboxylate?
The InChIKey is LYJWQBRRDVZFIN-WMCAAGNKSA-N. The full InChI is InChI=1S/C20H37NO3Si/c1-10-11-12-17(25(7,8)9)14-13-16-15-23-20(5,6)21(16)18(22)24-19(2,3)4/h13,16H,10-12,15H2,1-9H3/t14?,16-/m0/s1.
What are the key properties of tert-butyl (4S)-2,2-dimethyl-4-(3-trimethylsilylhepta-1,2-dienyl)-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-2,2-dimethyl-4-(3-trimethylsilylhepta-1,2-dienyl)-1,3-oxazolidine-3-carboxylate has a molecular weight of 367.61 g/mol, XLogP of 5.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-2,2-dimethyl-4-(3-trimethylsilylhepta-1,2-dienyl)-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 10714029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).