tert-butyl (4R)-4-[(1R)-1-hydroxydecyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C20H39NO4 — CID 138976835

IUPACtert-butyl (4R)-4-[(1R)-1-hydroxydecyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCCCCCCCCC[C@@H](O)[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C20H39NO4/c1-7-8-9-10-11-12-13-14-17(22)16-15-24-20(5,6)21(16)18(23)25-19(2,3)4/h16-17,22H,7-15H2,1-6H3/t16-,17-/m1/s1
InChIKeyJQHGFLAWYPGSPA-IAGOWNOFSA-N
MW357.54 g/mol
LogP4.86
Rot. Bonds9

About tert-butyl (4R)-4-[(1R)-1-hydroxydecyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4R)-4-[(1R)-1-hydroxydecyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 138976835) has the molecular formula C20H39NO4 and a molecular weight of 357.54 g/mol. Its IUPAC name is tert-butyl (4R)-4-[(1R)-1-hydroxydecyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-[(1R)-1-hydroxydecyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID138976835
Molecular FormulaC20H39NO4
Molecular Weight357.54 g/mol
Exact Mass357.29
IUPAC Nametert-butyl (4R)-4-[(1R)-1-hydroxydecyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCCCCCCCCC[C@@H](O)[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C20H39NO4/c1-7-8-9-10-11-12-13-14-17(22)16-15-24-20(5,6)21(16)18(23)25-19(2,3)4/h16-17,22H,7-15H2,1-6H3/t16-,17-/m1/s1
InChIKeyJQHGFLAWYPGSPA-IAGOWNOFSA-N
XLogP4.86
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(S)-tert-butyl 4-((R)-1-hydroxy-2-hexadecynyl)-2,2-dimethyloxazolidine-3-carboxylate
CID 10694286
tert-butyl (4S)-4-[(2S)-2-fluoroundecyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 134934921
tert-butyl (3S)-3-(hydroxymethyl)-1-oxa-4-azaspiro[4.5]decane-4-carboxylate
CID 42605341
tert-butyl (4R)-4-[(2R)-2-hydroxypentan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 101179995
tert-butyl (4R)-4-[(1S)-1-hydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 124491573
tert-butyl (4R)-4-[(1R)-1-hydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 124491574
tert-butyl (4S)-4-[(2R)-2-hydroxyundecyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 134881184
tert-butyl (4R)-4-[(1R)-1-hydroxydec-2-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 134881252
tert-butyl (3R)-3-[(1S)-1-hydroxypropyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate
CID 134930681
tert-butyl (3R)-3-[(1R)-1-hydroxypropyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate
CID 134930682
tert-butyl (3R)-3-[(1R)-1-hydroxy-2,2-dimethylpropyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate
CID 134930962
tert-butyl (3R)-3-[(S)-cyclohexyl(hydroxy)methyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate
CID 134930963

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-[(1R)-1-hydroxydecyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-4-[(1R)-1-hydroxydecyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 138976835) is tert-butyl (4R)-4-[(1R)-1-hydroxydecyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-[(1R)-1-hydroxydecyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-[(1R)-1-hydroxydecyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CCCCCCCCC[C@@H](O)[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4R)-4-[(1R)-1-hydroxydecyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is JQHGFLAWYPGSPA-IAGOWNOFSA-N. The full InChI is InChI=1S/C20H39NO4/c1-7-8-9-10-11-12-13-14-17(22)16-15-24-20(5,6)21(16)18(23)25-19(2,3)4/h16-17,22H,7-15H2,1-6H3/t16-,17-/m1/s1.
What are the key properties of tert-butyl (4R)-4-[(1R)-1-hydroxydecyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R)-4-[(1R)-1-hydroxydecyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 357.54 g/mol, XLogP of 4.86, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-[(1R)-1-hydroxydecyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 138976835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).