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

C15H23NO6 — CID 11846584

IUPACtert-butyl (4S)-4-(5-ethenyl-2-oxo-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESC=CC1OC(=O)OC1[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H23NO6/c1-7-10-11(21-13(18)20-10)9-8-19-15(5,6)16(9)12(17)22-14(2,3)4/h7,9-11H,1,8H2,2-6H3/t9-,10?,11?/m0/s1
InChIKeyGFLGQCQKKCPQLQ-WHXUTIOJSA-N
MW313.35 g/mol
LogP2.45
Rot. Bonds2

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

tert-butyl (4S)-4-(5-ethenyl-2-oxo-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 11846584) has the molecular formula C15H23NO6 and a molecular weight of 313.35 g/mol. Its IUPAC name is tert-butyl (4S)-4-(5-ethenyl-2-oxo-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-(5-ethenyl-2-oxo-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID11846584
Molecular FormulaC15H23NO6
Molecular Weight313.35 g/mol
Exact Mass313.15
IUPAC Nametert-butyl (4S)-4-(5-ethenyl-2-oxo-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESC=CC1OC(=O)OC1[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H23NO6/c1-7-10-11(21-13(18)20-10)9-8-19-15(5,6)16(9)12(17)22-14(2,3)4/h7,9-11H,1,8H2,2-6H3/t9-,10?,11?/m0/s1
InChIKeyGFLGQCQKKCPQLQ-WHXUTIOJSA-N
XLogP2.45
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

tert-butyl (4S)-4-[(2S,3R)-3-ethenyloxiran-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11129346
(4R)-3-but-3-enyl-4-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-oxazolidin-2-one
CID 11065411
(1R,2R,6R,7Z)-4,4-dimethyl-3,5,13-trioxa-11-azatricyclo[9.3.0.02,6]tetradec-7-en-12-one
CID 11791272
tert-butyl (4S)-4-[(4S,5R)-5-ethenyl-2-oxo-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11846583
tert-butyl (4R)-4-[(4S,5R)-5-ethenyl-2-oxo-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 90987068
tert-butyl (4S)-4-[(1S)-1-(methoxymethoxy)prop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 134835532
tert-butyl N-but-3-enyl-N-[[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate
CID 135030709
tert-butyl (4S)-4-[(R)-hydroxy-[(4R)-5-methylidene-2-oxo-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 139037430
tert-butyl (4S)-4-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11484227
Tert-butyl 2,2-dimethyl-5-(prop-2-enoxymethyl)-4-prop-2-enyl-1,3-oxazolidine-3-carboxylate
CID 53804525
(S)-4-(2-allyloxy-pent-4-enyl)-2,2-dimethyl-oxazolidine-3-carboxylic acid t-butyl ester
CID 59344939
tert-butyl 2,2-dimethyl-4-[(2S)-2-prop-2-enoxypent-4-enyl]-1,3-oxazolidine-3-carboxylate
CID 66895285

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-(5-ethenyl-2-oxo-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-4-(5-ethenyl-2-oxo-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 11846584) is tert-butyl (4S)-4-(5-ethenyl-2-oxo-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-(5-ethenyl-2-oxo-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-(5-ethenyl-2-oxo-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is C=CC1OC(=O)OC1[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4S)-4-(5-ethenyl-2-oxo-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is GFLGQCQKKCPQLQ-WHXUTIOJSA-N. The full InChI is InChI=1S/C15H23NO6/c1-7-10-11(21-13(18)20-10)9-8-19-15(5,6)16(9)12(17)22-14(2,3)4/h7,9-11H,1,8H2,2-6H3/t9-,10?,11?/m0/s1.
What are the key properties of tert-butyl (4S)-4-(5-ethenyl-2-oxo-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-4-(5-ethenyl-2-oxo-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 313.35 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-(5-ethenyl-2-oxo-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11846584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).