tert-butyl (4S)-4-[(1S)-1-(methoxymethoxy)prop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C15H27NO5 — CID 134835532

IUPACtert-butyl (4S)-4-[(1S)-1-(methoxymethoxy)prop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESC=C[C@H](OCOC)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO5/c1-8-12(19-10-18-7)11-9-20-15(5,6)16(11)13(17)21-14(2,3)4/h8,11-12H,1,9-10H2,2-7H3/t11-,12-/m0/s1
InChIKeyXZBJGAYRMWDCSD-RYUDHWBXSA-N
MW301.38 g/mol
LogP2.53
Rot. Bonds5

About tert-butyl (4S)-4-[(1S)-1-(methoxymethoxy)prop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4S)-4-[(1S)-1-(methoxymethoxy)prop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 134835532) has the molecular formula C15H27NO5 and a molecular weight of 301.38 g/mol. Its IUPAC name is tert-butyl (4S)-4-[(1S)-1-(methoxymethoxy)prop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-[(1S)-1-(methoxymethoxy)prop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID134835532
Molecular FormulaC15H27NO5
Molecular Weight301.38 g/mol
Exact Mass301.19
IUPAC Nametert-butyl (4S)-4-[(1S)-1-(methoxymethoxy)prop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESC=C[C@H](OCOC)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO5/c1-8-12(19-10-18-7)11-9-20-15(5,6)16(11)13(17)21-14(2,3)4/h8,11-12H,1,9-10H2,2-7H3/t11-,12-/m0/s1
InChIKeyXZBJGAYRMWDCSD-RYUDHWBXSA-N
XLogP2.53
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(2S,3S)-3-(methoxymethoxy)pent-4-en-2-yl]-N-prop-2-enylcarbamate
CID 134860000
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 (4R)-2,2-dimethyl-4-[(1S)-1-prop-2-enoxyprop-2-enyl]-1,3-oxazolidine-3-carboxylate
CID 134865983
tert-butyl (4R)-2,2-dimethyl-4-[(1R)-1-prop-2-enoxyprop-2-enyl]-1,3-oxazolidine-3-carboxylate
CID 134865984
tert-butyl (4S)-2,2-dimethyl-4-[(2R,5S)-5-methyl-2,5-dihydrofuran-2-yl]-1,3-oxazolidine-3-carboxylate
CID 134884853
tert-butyl (4R)-4-[(2R)-2,5-dihydrofuran-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 135036889
tert-butyl 4-[(2S)-2,5-dihydrofuran-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 135036905
tert-butyl N-[(2S)-2-(methoxymethoxy)but-3-enyl]-N-prop-2-enylcarbamate
CID 16038155
Tert-butyl(4s,5s)-4-allyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 58297727
Tert-butyl(4r,5s)-4-[1-(acetyloxy)prop-2-en-1-yl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 58297744
Tert-butyl 2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidine-3-carboxylate
CID 72819797

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-[(1S)-1-(methoxymethoxy)prop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-4-[(1S)-1-(methoxymethoxy)prop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 134835532) is tert-butyl (4S)-4-[(1S)-1-(methoxymethoxy)prop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-[(1S)-1-(methoxymethoxy)prop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-[(1S)-1-(methoxymethoxy)prop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is C=C[C@H](OCOC)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4S)-4-[(1S)-1-(methoxymethoxy)prop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is XZBJGAYRMWDCSD-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H27NO5/c1-8-12(19-10-18-7)11-9-20-15(5,6)16(11)13(17)21-14(2,3)4/h8,11-12H,1,9-10H2,2-7H3/t11-,12-/m0/s1.
What are the key properties of tert-butyl (4S)-4-[(1S)-1-(methoxymethoxy)prop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-4-[(1S)-1-(methoxymethoxy)prop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 301.38 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-[(1S)-1-(methoxymethoxy)prop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 134835532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).