tert-butyl (4R,5R)-4-ethenyl-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate

C15H25NO3 — CID 11807653

IUPACtert-butyl (4R,5R)-4-ethenyl-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate
SMILESC=CC[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C=C
InChIInChI=1S/C15H25NO3/c1-8-10-12-11(9-2)16(15(6,7)18-12)13(17)19-14(3,4)5/h8-9,11-12H,1-2,10H2,3-7H3/t11-,12-/m1/s1
InChIKeyHCIIFXYGSJAQNR-VXGBXAGGSA-N
MW267.37 g/mol
LogP3.49
Rot. Bonds3

About tert-butyl (4R,5R)-4-ethenyl-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4R,5R)-4-ethenyl-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate (PubChem CID 11807653) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is tert-butyl (4R,5R)-4-ethenyl-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R,5R)-4-ethenyl-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate
PubChem CID11807653
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Nametert-butyl (4R,5R)-4-ethenyl-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate
SMILESC=CC[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C=C
InChIInChI=1S/C15H25NO3/c1-8-10-12-11(9-2)16(15(6,7)18-12)13(17)19-14(3,4)5/h8-9,11-12H,1-2,10H2,3-7H3/t11-,12-/m1/s1
InChIKeyHCIIFXYGSJAQNR-VXGBXAGGSA-N
XLogP3.49
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl (4R,5R)-4-ethenyl-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate with MolForge

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Related Compounds

(4R)-2,2-Dimethyl-4-vinyloxazolidine-3-carboxylic acid tert-butyl ester
CID 10878894
2-Vinylpyrrolidine, N-BOC protected
CID 13905156
tert-butyl (4S)-4-[(1S)-1-hydroxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10107242
(2S)-N-tert-butoxycarbonyl-2-vinylpyrrolidine
CID 11084803
tert-Butyl (2R)-2-ethenylpyrrolidine-1-carboxylate
CID 12185972
tert-butyl (4R)-2,2-dimethyl-4-[(E)-2-tributylstannylethenyl]-1,3-oxazolidine-3-carboxylate
CID 10697188
tert-butyl (4R)-4-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10807963
tert-butyl (4S)-4-[(1R)-1-hydroxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10468424
tert-butyl (4R)-4-[(1S)-1-hydroxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11119194
Tert-butyl 2,2-dimethyl-4-vinyloxazolidine-3-carboxylate
CID 13905152
tert-butyl (4S)-4-(1-hydroxybut-3-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 15213827
tert-butyl (4R)-2,2-dimethyl-4-prop-1-en-2-yl-1,3-oxazolidine-3-carboxylate
CID 90196773

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R,5R)-4-ethenyl-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R,5R)-4-ethenyl-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate (CID 11807653) is tert-butyl (4R,5R)-4-ethenyl-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R,5R)-4-ethenyl-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R,5R)-4-ethenyl-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate is C=CC[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C=C.
What is the InChIKey of tert-butyl (4R,5R)-4-ethenyl-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is HCIIFXYGSJAQNR-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H25NO3/c1-8-10-12-11(9-2)16(15(6,7)18-12)13(17)19-14(3,4)5/h8-9,11-12H,1-2,10H2,3-7H3/t11-,12-/m1/s1.
What are the key properties of tert-butyl (4R,5R)-4-ethenyl-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R,5R)-4-ethenyl-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 267.37 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R,5R)-4-ethenyl-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11807653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).