tert-butyl N-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]carbamate

C11H22INO5 — CID 59981200

IUPACtert-butyl N-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]carbamate
SMILESCC(C)(C)OC(=O)NOCCOCCOCCI
InChIInChI=1S/C11H22INO5/c1-11(2,3)18-10(14)13-17-9-8-16-7-6-15-5-4-12/h4-9H2,1-3H3,(H,13,14)
InChIKeyZRTBCJRHUUWIEG-UHFFFAOYSA-N
MW375.20 g/mol
LogP1.91
Rot. Bonds9

About tert-butyl N-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]carbamate

tert-butyl N-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]carbamate (PubChem CID 59981200) has the molecular formula C11H22INO5 and a molecular weight of 375.20 g/mol. Its IUPAC name is tert-butyl N-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]carbamate
PubChem CID59981200
Molecular FormulaC11H22INO5
Molecular Weight375.20 g/mol
Exact Mass375.05
IUPAC Nametert-butyl N-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]carbamate
SMILESCC(C)(C)OC(=O)NOCCOCCOCCI
InChIInChI=1S/C11H22INO5/c1-11(2,3)18-10(14)13-17-9-8-16-7-6-15-5-4-12/h4-9H2,1-3H3,(H,13,14)
InChIKeyZRTBCJRHUUWIEG-UHFFFAOYSA-N
XLogP1.91
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.20
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-[2-(2-iodosulfanyloxyethoxy)ethoxy]ethoxy]carbamate;ethane
CID 177228817
tert-butyl 3-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethoxy]propanoate
CID 91757752
tert-butyl N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]carbamate
CID 134827749
tert-butyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]carbamate
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tert-butyl N-(2-aminoethoxy)carbamate;hydrochloride
CID 135285194
tert-butyl N-[4-(2-iodoethoxy)butyl]carbamate
CID 171066422
2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethyl 2-bromo-2-methylpropanoate
CID 86659550
tert-butyl N-[2-[2-[2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetyl]amino]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]carbamate
CID 59658355
2-[2-(2-iodoethoxy)ethoxy]ethyl N-methylcarbamate
CID 158533955
2-(2-iodoethoxy)ethyl N-tert-butylcarbamate
CID 91125115
2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetyl]oxyethoxy]ethoxy]ethyl 4-oxopentanoate
CID 118135667
8-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethoxy]ethylamino]-8-oxooctanoic acid
CID 134514732

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]carbamate?
The IUPAC name of tert-butyl N-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]carbamate (CID 59981200) is tert-butyl N-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]carbamate is CC(C)(C)OC(=O)NOCCOCCOCCI.
What is the InChIKey of tert-butyl N-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]carbamate?
The InChIKey is ZRTBCJRHUUWIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22INO5/c1-11(2,3)18-10(14)13-17-9-8-16-7-6-15-5-4-12/h4-9H2,1-3H3,(H,13,14).
What are the key properties of tert-butyl N-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]carbamate?
tert-butyl N-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]carbamate has a molecular weight of 375.20 g/mol, XLogP of 1.91, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]carbamate is sourced from PubChem (CID 59981200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).