tert-butyl N-(6-arsanylhex-3-ynyl)carbamate

C11H20AsNO2 — CID 173136641

IUPACtert-butyl N-(6-arsanylhex-3-ynyl)carbamate
SMILESCC(C)(C)OC(=O)NCCC#CCC[AsH2]
InChIInChI=1S/C11H20AsNO2/c1-11(2,3)15-10(14)13-9-7-5-4-6-8-12/h6-9,12H2,1-3H3,(H,13,14)
InChIKeyUFGAFNXSEQLUMA-UHFFFAOYSA-N
MW273.21 g/mol
LogP1.35
Rot. Bonds3

About tert-butyl N-(6-arsanylhex-3-ynyl)carbamate

tert-butyl N-(6-arsanylhex-3-ynyl)carbamate (PubChem CID 173136641) has the molecular formula C11H20AsNO2 and a molecular weight of 273.21 g/mol. Its IUPAC name is tert-butyl N-(6-arsanylhex-3-ynyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-arsanylhex-3-ynyl)carbamate
PubChem CID173136641
Molecular FormulaC11H20AsNO2
Molecular Weight273.21 g/mol
Exact Mass273.07
IUPAC Nametert-butyl N-(6-arsanylhex-3-ynyl)carbamate
SMILESCC(C)(C)OC(=O)NCCC#CCC[AsH2]
InChIInChI=1S/C11H20AsNO2/c1-11(2,3)15-10(14)13-9-7-5-4-6-8-12/h6-9,12H2,1-3H3,(H,13,14)
InChIKeyUFGAFNXSEQLUMA-UHFFFAOYSA-N
XLogP1.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(5-aminopent-2-ynyl)carbamate
CID 86698555
tert-butyl N-[2-(pent-3-ynylamino)ethyl]carbamate
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CID 155402013
tert-butyl N-[2-(but-2-ynylamino)ethyl]carbamate
CID 115866342
tert-butyl N-(4-cyanobutyl)carbamate
CID 45091902
tert-butyl N-(bromomethyl)carbamate
CID 20614913
tert-butyl N-[4-[2-(2-phenylethynyl)phenyl]but-3-ynyl]carbamate
CID 51356016
tert-butyl N-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]propyl]carbamate
CID 10404463
tert-butyl N-(2-bromoethyl)carbamate;methane
CID 158621054
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-methyl-2-sulfanylpropyl)carbamate
CID 45092056
methyl 2-imino-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopentanoate
CID 145406631

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-arsanylhex-3-ynyl)carbamate?
The IUPAC name of tert-butyl N-(6-arsanylhex-3-ynyl)carbamate (CID 173136641) is tert-butyl N-(6-arsanylhex-3-ynyl)carbamate.
What is the SMILES notation for tert-butyl N-(6-arsanylhex-3-ynyl)carbamate?
The canonical SMILES for tert-butyl N-(6-arsanylhex-3-ynyl)carbamate is CC(C)(C)OC(=O)NCCC#CCC[AsH2].
What is the InChIKey of tert-butyl N-(6-arsanylhex-3-ynyl)carbamate?
The InChIKey is UFGAFNXSEQLUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20AsNO2/c1-11(2,3)15-10(14)13-9-7-5-4-6-8-12/h6-9,12H2,1-3H3,(H,13,14).
What are the key properties of tert-butyl N-(6-arsanylhex-3-ynyl)carbamate?
tert-butyl N-(6-arsanylhex-3-ynyl)carbamate has a molecular weight of 273.21 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-arsanylhex-3-ynyl)carbamate is sourced from PubChem (CID 173136641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).