tert-butyl (4S,5S)-4-[2,2-dimethyl-4-tri(propan-2-yl)silyloxybutyl]-2,2-dimethyl-5-[(2R)-2-propan-2-ylbut-3-enyl]-1,3-oxazolidine-3-carboxylate

C32H63NO4Si — CID 22882488

IUPACtert-butyl (4S,5S)-4-[2,2-dimethyl-4-tri(propan-2-yl)silyloxybutyl]-2,2-dimethyl-5-[(2R)-2-propan-2-ylbut-3-enyl]-1,3-oxazolidine-3-carboxylate
SMILESC=C[C@H](C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CC(C)(C)CCO[Si](C(C)C)(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C32H63NO4Si/c1-17-26(22(2)3)20-28-27(33(32(15,16)36-28)29(34)37-30(10,11)12)21-31(13,14)18-19-35-38(23(4)5,24(6)7)25(8)9/h17,22-28H,1,18-21H2,2-16H3/t26-,27+,28+/m1/s1
InChIKeyMYQBKCZQXCZRMH-PKTNWEFCSA-N
MW553.95 g/mol
LogP9.57
Rot. Bonds13

About tert-butyl (4S,5S)-4-[2,2-dimethyl-4-tri(propan-2-yl)silyloxybutyl]-2,2-dimethyl-5-[(2R)-2-propan-2-ylbut-3-enyl]-1,3-oxazolidine-3-carboxylate

tert-butyl (4S,5S)-4-[2,2-dimethyl-4-tri(propan-2-yl)silyloxybutyl]-2,2-dimethyl-5-[(2R)-2-propan-2-ylbut-3-enyl]-1,3-oxazolidine-3-carboxylate (PubChem CID 22882488) has the molecular formula C32H63NO4Si and a molecular weight of 553.95 g/mol. Its IUPAC name is tert-butyl (4S,5S)-4-[2,2-dimethyl-4-tri(propan-2-yl)silyloxybutyl]-2,2-dimethyl-5-[(2R)-2-propan-2-ylbut-3-enyl]-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S,5S)-4-[2,2-dimethyl-4-tri(propan-2-yl)silyloxybutyl]-2,2-dimethyl-5-[(2R)-2-propan-2-ylbut-3-enyl]-1,3-oxazolidine-3-carboxylate
PubChem CID22882488
Molecular FormulaC32H63NO4Si
Molecular Weight553.95 g/mol
Exact Mass553.45
IUPAC Nametert-butyl (4S,5S)-4-[2,2-dimethyl-4-tri(propan-2-yl)silyloxybutyl]-2,2-dimethyl-5-[(2R)-2-propan-2-ylbut-3-enyl]-1,3-oxazolidine-3-carboxylate
SMILESC=C[C@H](C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CC(C)(C)CCO[Si](C(C)C)(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C32H63NO4Si/c1-17-26(22(2)3)20-28-27(33(32(15,16)36-28)29(34)37-30(10,11)12)21-31(13,14)18-19-35-38(23(4)5,24(6)7)25(8)9/h17,22-28H,1,18-21H2,2-16H3/t26-,27+,28+/m1/s1
InChIKeyMYQBKCZQXCZRMH-PKTNWEFCSA-N
XLogP9.57
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.95
LogP ≤ 59.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S,5S)-4-[2,2-dimethyl-4-tri(propan-2-yl)silyloxybutyl]-2,2-dimethyl-5-[(2R)-2-propan-2-ylbut-3-enyl]-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S,5S)-4-[2,2-dimethyl-4-tri(propan-2-yl)silyloxybutyl]-2,2-dimethyl-5-[(2R)-2-propan-2-ylbut-3-enyl]-1,3-oxazolidine-3-carboxylate (CID 22882488) is tert-butyl (4S,5S)-4-[2,2-dimethyl-4-tri(propan-2-yl)silyloxybutyl]-2,2-dimethyl-5-[(2R)-2-propan-2-ylbut-3-enyl]-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S,5S)-4-[2,2-dimethyl-4-tri(propan-2-yl)silyloxybutyl]-2,2-dimethyl-5-[(2R)-2-propan-2-ylbut-3-enyl]-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S,5S)-4-[2,2-dimethyl-4-tri(propan-2-yl)silyloxybutyl]-2,2-dimethyl-5-[(2R)-2-propan-2-ylbut-3-enyl]-1,3-oxazolidine-3-carboxylate is C=C[C@H](C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CC(C)(C)CCO[Si](C(C)C)(C(C)C)C(C)C)C(C)C.
What is the InChIKey of tert-butyl (4S,5S)-4-[2,2-dimethyl-4-tri(propan-2-yl)silyloxybutyl]-2,2-dimethyl-5-[(2R)-2-propan-2-ylbut-3-enyl]-1,3-oxazolidine-3-carboxylate?
The InChIKey is MYQBKCZQXCZRMH-PKTNWEFCSA-N. The full InChI is InChI=1S/C32H63NO4Si/c1-17-26(22(2)3)20-28-27(33(32(15,16)36-28)29(34)37-30(10,11)12)21-31(13,14)18-19-35-38(23(4)5,24(6)7)25(8)9/h17,22-28H,1,18-21H2,2-16H3/t26-,27+,28+/m1/s1.
What are the key properties of tert-butyl (4S,5S)-4-[2,2-dimethyl-4-tri(propan-2-yl)silyloxybutyl]-2,2-dimethyl-5-[(2R)-2-propan-2-ylbut-3-enyl]-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S,5S)-4-[2,2-dimethyl-4-tri(propan-2-yl)silyloxybutyl]-2,2-dimethyl-5-[(2R)-2-propan-2-ylbut-3-enyl]-1,3-oxazolidine-3-carboxylate has a molecular weight of 553.95 g/mol, XLogP of 9.57, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S,5S)-4-[2,2-dimethyl-4-tri(propan-2-yl)silyloxybutyl]-2,2-dimethyl-5-[(2R)-2-propan-2-ylbut-3-enyl]-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 22882488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).