2-(2-iodoethoxy)ethyl N-tert-butylcarbamate

C9H18INO3 — CID 91125115

IUPAC2-(2-iodoethoxy)ethyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCCOCCI
InChIInChI=1S/C9H18INO3/c1-9(2,3)11-8(12)14-7-6-13-5-4-10/h4-7H2,1-3H3,(H,11,12)
InChIKeyVLUJHHXFLBLDHN-UHFFFAOYSA-N
MW315.15 g/mol
LogP1.96
Rot. Bonds5

About 2-(2-iodoethoxy)ethyl N-tert-butylcarbamate

2-(2-iodoethoxy)ethyl N-tert-butylcarbamate (PubChem CID 91125115) has the molecular formula C9H18INO3 and a molecular weight of 315.15 g/mol. Its IUPAC name is 2-(2-iodoethoxy)ethyl N-tert-butylcarbamate.

Molecular Properties

Compound Name2-(2-iodoethoxy)ethyl N-tert-butylcarbamate
PubChem CID91125115
Molecular FormulaC9H18INO3
Molecular Weight315.15 g/mol
Exact Mass315.03
IUPAC Name2-(2-iodoethoxy)ethyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCCOCCI
InChIInChI=1S/C9H18INO3/c1-9(2,3)11-8(12)14-7-6-13-5-4-10/h4-7H2,1-3H3,(H,11,12)
InChIKeyVLUJHHXFLBLDHN-UHFFFAOYSA-N
XLogP1.96
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.15
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

2-(tert-butylcarbamoyloxy)ethyl N-tert-butylcarbamate
CID 176596941
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl N-tert-butylcarbamate
CID 129320050
2-[2-(2-iodoethoxy)ethoxy]ethyl N-methylcarbamate
CID 158533955
2-propan-2-yloxyethyl N-tert-butylcarbamate
CID 174652774
2-[2-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]ethoxy]ethyl N-tert-butylcarbamate
CID 118435267
tert-butyl N-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]carbamate
CID 59981200
2-(3-phenylmethoxypropoxy)ethyl N-tert-butylcarbamate
CID 91455636
(3-amino-3-sulfanylidenepropyl) N-tert-butylcarbamate
CID 142744871
2,2-dimethylpropyl N-tert-butylcarbamate
CID 11171443
2-ethylsulfanylethyl N-tert-butylcarbamate
CID 174520312
2-[4-(hydroxymethyl)phenyl]ethyl N-tert-butylcarbamate
CID 90775428
2-(4-aminophenoxy)ethyl N-tert-butylcarbamate
CID 174910550

Frequently Asked Questions

What is the IUPAC name of 2-(2-iodoethoxy)ethyl N-tert-butylcarbamate?
The IUPAC name of 2-(2-iodoethoxy)ethyl N-tert-butylcarbamate (CID 91125115) is 2-(2-iodoethoxy)ethyl N-tert-butylcarbamate.
What is the SMILES notation for 2-(2-iodoethoxy)ethyl N-tert-butylcarbamate?
The canonical SMILES for 2-(2-iodoethoxy)ethyl N-tert-butylcarbamate is CC(C)(C)NC(=O)OCCOCCI.
What is the InChIKey of 2-(2-iodoethoxy)ethyl N-tert-butylcarbamate?
The InChIKey is VLUJHHXFLBLDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18INO3/c1-9(2,3)11-8(12)14-7-6-13-5-4-10/h4-7H2,1-3H3,(H,11,12).
What are the key properties of 2-(2-iodoethoxy)ethyl N-tert-butylcarbamate?
2-(2-iodoethoxy)ethyl N-tert-butylcarbamate has a molecular weight of 315.15 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodoethoxy)ethyl N-tert-butylcarbamate is sourced from PubChem (CID 91125115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).