tert-butyl iodooxymethyl carbonate

C6H11IO4 — CID 118480207

IUPACtert-butyl iodooxymethyl carbonate
SMILESCC(C)(C)OC(=O)OCOI
InChIInChI=1S/C6H11IO4/c1-6(2,3)11-5(8)9-4-10-7/h4H2,1-3H3
InChIKeyFXQBKNQKIGAUHR-UHFFFAOYSA-N
MW274.05 g/mol
LogP2.26
Rot. Bonds2

About tert-butyl iodooxymethyl carbonate

tert-butyl iodooxymethyl carbonate (PubChem CID 118480207) has the molecular formula C6H11IO4 and a molecular weight of 274.05 g/mol. Its IUPAC name is tert-butyl iodooxymethyl carbonate.

Molecular Properties

Compound Nametert-butyl iodooxymethyl carbonate
PubChem CID118480207
Molecular FormulaC6H11IO4
Molecular Weight274.05 g/mol
Exact Mass273.97
IUPAC Nametert-butyl iodooxymethyl carbonate
SMILESCC(C)(C)OC(=O)OCOI
InChIInChI=1S/C6H11IO4/c1-6(2,3)11-5(8)9-4-10-7/h4H2,1-3H3
InChIKeyFXQBKNQKIGAUHR-UHFFFAOYSA-N
XLogP2.26
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.05
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2-methylpropan-2-yl)oxymethyl carbonate
CID 138563877
tert-butyl phosphonooxymethyl carbonate
CID 89472425
tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonyloxy]propyl carbonate
CID 87663163
2-bromoethyl tert-butyl carbonate
CID 165178852
tert-butyl hydroxy carbonate
CID 19428429
ethyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy]acetate
CID 125471896
ditert-butyl carbonate;diethylamino(trihydroxy)phosphanium
CID 159004388
tert-butyl heptyl carbonate
CID 14883661
tert-butyl dodecyl carbonate
CID 13437280
ditert-butyl oxalate;hydrazine
CID 88669499
tert-butyl carboxyoxyperoxy carbonate
CID 54274737
tert-butyl 3,3-diaminopropanoate
CID 57031897

Frequently Asked Questions

What is the IUPAC name of tert-butyl iodooxymethyl carbonate?
The IUPAC name of tert-butyl iodooxymethyl carbonate (CID 118480207) is tert-butyl iodooxymethyl carbonate.
What is the SMILES notation for tert-butyl iodooxymethyl carbonate?
The canonical SMILES for tert-butyl iodooxymethyl carbonate is CC(C)(C)OC(=O)OCOI.
What is the InChIKey of tert-butyl iodooxymethyl carbonate?
The InChIKey is FXQBKNQKIGAUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11IO4/c1-6(2,3)11-5(8)9-4-10-7/h4H2,1-3H3.
What are the key properties of tert-butyl iodooxymethyl carbonate?
tert-butyl iodooxymethyl carbonate has a molecular weight of 274.05 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl iodooxymethyl carbonate is sourced from PubChem (CID 118480207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).