tert-butyl (4S,5S)-5-ethenyl-2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidine-3-carboxylate

C16H29NO3 — CID 11369600

IUPACtert-butyl (4S,5S)-5-ethenyl-2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidine-3-carboxylate
SMILESC=C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CC(C)C
InChIInChI=1S/C16H29NO3/c1-9-13-12(10-11(2)3)17(16(7,8)19-13)14(18)20-15(4,5)6/h9,11-13H,1,10H2,2-8H3/t12-,13-/m0/s1
InChIKeyPVEHYEJIVLSFPK-STQMWFEESA-N
MW283.41 g/mol
LogP3.96
Rot. Bonds3

About tert-butyl (4S,5S)-5-ethenyl-2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidine-3-carboxylate

tert-butyl (4S,5S)-5-ethenyl-2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidine-3-carboxylate (PubChem CID 11369600) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is tert-butyl (4S,5S)-5-ethenyl-2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S,5S)-5-ethenyl-2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidine-3-carboxylate
PubChem CID11369600
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Nametert-butyl (4S,5S)-5-ethenyl-2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidine-3-carboxylate
SMILESC=C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CC(C)C
InChIInChI=1S/C16H29NO3/c1-9-13-12(10-11(2)3)17(16(7,8)19-13)14(18)20-15(4,5)6/h9,11-13H,1,10H2,2-8H3/t12-,13-/m0/s1
InChIKeyPVEHYEJIVLSFPK-STQMWFEESA-N
XLogP3.96
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl (4S,5S)-5-ethenyl-2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidine-3-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S,5S)-5-ethenyl-2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S,5S)-5-ethenyl-2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidine-3-carboxylate (CID 11369600) is tert-butyl (4S,5S)-5-ethenyl-2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S,5S)-5-ethenyl-2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S,5S)-5-ethenyl-2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidine-3-carboxylate is C=C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CC(C)C.
What is the InChIKey of tert-butyl (4S,5S)-5-ethenyl-2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidine-3-carboxylate?
The InChIKey is PVEHYEJIVLSFPK-STQMWFEESA-N. The full InChI is InChI=1S/C16H29NO3/c1-9-13-12(10-11(2)3)17(16(7,8)19-13)14(18)20-15(4,5)6/h9,11-13H,1,10H2,2-8H3/t12-,13-/m0/s1.
What are the key properties of tert-butyl (4S,5S)-5-ethenyl-2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S,5S)-5-ethenyl-2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidine-3-carboxylate has a molecular weight of 283.41 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S,5S)-5-ethenyl-2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11369600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).