tert-butyl (4R,5R)-4-[(Z)-2-iodoprop-1-enyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate

C14H24INO3 — CID 153313504

IUPACtert-butyl (4R,5R)-4-[(Z)-2-iodoprop-1-enyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
SMILESC/C(I)=C/[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H24INO3/c1-9(15)8-11-10(2)18-14(6,7)16(11)12(17)19-13(3,4)5/h8,10-11H,1-7H3/b9-8-/t10-,11-/m1/s1
InChIKeyYZWJUQRIIOEFTQ-DLXGREBBSA-N
MW381.25 g/mol
LogP4.09
Rot. Bonds1

About tert-butyl (4R,5R)-4-[(Z)-2-iodoprop-1-enyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4R,5R)-4-[(Z)-2-iodoprop-1-enyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 153313504) has the molecular formula C14H24INO3 and a molecular weight of 381.25 g/mol. Its IUPAC name is tert-butyl (4R,5R)-4-[(Z)-2-iodoprop-1-enyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R,5R)-4-[(Z)-2-iodoprop-1-enyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID153313504
Molecular FormulaC14H24INO3
Molecular Weight381.25 g/mol
Exact Mass381.08
IUPAC Nametert-butyl (4R,5R)-4-[(Z)-2-iodoprop-1-enyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
SMILESC/C(I)=C/[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H24INO3/c1-9(15)8-11-10(2)18-14(6,7)16(11)12(17)19-13(3,4)5/h8,10-11H,1-7H3/b9-8-/t10-,11-/m1/s1
InChIKeyYZWJUQRIIOEFTQ-DLXGREBBSA-N
XLogP4.09
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.25
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R,5R)-4-[(Z)-2-iodoprop-1-enyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R,5R)-4-[(Z)-2-iodoprop-1-enyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate (CID 153313504) is tert-butyl (4R,5R)-4-[(Z)-2-iodoprop-1-enyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R,5R)-4-[(Z)-2-iodoprop-1-enyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R,5R)-4-[(Z)-2-iodoprop-1-enyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate is C/C(I)=C/[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4R,5R)-4-[(Z)-2-iodoprop-1-enyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is YZWJUQRIIOEFTQ-DLXGREBBSA-N. The full InChI is InChI=1S/C14H24INO3/c1-9(15)8-11-10(2)18-14(6,7)16(11)12(17)19-13(3,4)5/h8,10-11H,1-7H3/b9-8-/t10-,11-/m1/s1.
What are the key properties of tert-butyl (4R,5R)-4-[(Z)-2-iodoprop-1-enyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R,5R)-4-[(Z)-2-iodoprop-1-enyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 381.25 g/mol, XLogP of 4.09, 1 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-[(Z)-2-iodoprop-1-enyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 153313504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).