tert-butyl N-[2-(methoxymethylperoxy)ethyl]carbamate

C9H19NO5 — CID 170098120

IUPACtert-butyl N-[2-(methoxymethylperoxy)ethyl]carbamate
SMILESCOCOOCCNC(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO5/c1-9(2,3)15-8(11)10-5-6-13-14-7-12-4/h5-7H2,1-4H3,(H,10,11)
InChIKeyBRHHJCQVABKDED-UHFFFAOYSA-N
MW221.25 g/mol
LogP1.06
Rot. Bonds6

About tert-butyl N-[2-(methoxymethylperoxy)ethyl]carbamate

tert-butyl N-[2-(methoxymethylperoxy)ethyl]carbamate (PubChem CID 170098120) has the molecular formula C9H19NO5 and a molecular weight of 221.25 g/mol. Its IUPAC name is tert-butyl N-[2-(methoxymethylperoxy)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(methoxymethylperoxy)ethyl]carbamate
PubChem CID170098120
Molecular FormulaC9H19NO5
Molecular Weight221.25 g/mol
Exact Mass221.13
IUPAC Nametert-butyl N-[2-(methoxymethylperoxy)ethyl]carbamate
SMILESCOCOOCCNC(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO5/c1-9(2,3)15-8(11)10-5-6-13-14-7-12-4/h5-7H2,1-4H3,(H,10,11)
InChIKeyBRHHJCQVABKDED-UHFFFAOYSA-N
XLogP1.06
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 154659295
tert-butyl N-[2-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 170538962
tert-butyl N-[4-(2-methoxyethoxy)butyl]carbamate
CID 58725633
tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate
CID 159460097
tert-butyl N-[2-(2-methylbutan-2-yloxy)ethyl]carbamate
CID 130655244
tert-butyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 126480541
tert-butyl N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]carbamate
CID 157037033
tert-butyl N-(2-carbamoyloxyethyl)carbamate
CID 83215599
tert-butyl N-(2-methoxyethylamino)carbamate
CID 87253859
tert-butyl N-(2-dihydroxyphosphanyloxyethyl)carbamate
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tert-butyl N-[2-[[N-[2-(2-methoxyethoxy)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111883818
2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 11660330

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(methoxymethylperoxy)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(methoxymethylperoxy)ethyl]carbamate (CID 170098120) is tert-butyl N-[2-(methoxymethylperoxy)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(methoxymethylperoxy)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(methoxymethylperoxy)ethyl]carbamate is COCOOCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(methoxymethylperoxy)ethyl]carbamate?
The InChIKey is BRHHJCQVABKDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO5/c1-9(2,3)15-8(11)10-5-6-13-14-7-12-4/h5-7H2,1-4H3,(H,10,11).
What are the key properties of tert-butyl N-[2-(methoxymethylperoxy)ethyl]carbamate?
tert-butyl N-[2-(methoxymethylperoxy)ethyl]carbamate has a molecular weight of 221.25 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(methoxymethylperoxy)ethyl]carbamate is sourced from PubChem (CID 170098120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).