bis(2-methylphenyl)-propan-2-ylarsane

C17H21As — CID 71443742

IUPACbis(2-methylphenyl)-propan-2-ylarsane
SMILESCc1ccccc1[As](c1ccccc1C)C(C)C
InChIInChI=1S/C17H21As/c1-13(2)18(16-11-7-5-9-14(16)3)17-12-8-6-10-15(17)4/h5-13H,1-4H3
InChIKeyIAURRVKQVLRXDC-UHFFFAOYSA-N
MW300.28 g/mol
LogP3.32
Rot. Bonds3

About bis(2-methylphenyl)-propan-2-ylarsane

bis(2-methylphenyl)-propan-2-ylarsane (PubChem CID 71443742) has the molecular formula C17H21As and a molecular weight of 300.28 g/mol. Its IUPAC name is bis(2-methylphenyl)-propan-2-ylarsane.

Molecular Properties

Compound Namebis(2-methylphenyl)-propan-2-ylarsane
PubChem CID71443742
Molecular FormulaC17H21As
Molecular Weight300.28 g/mol
Exact Mass300.09
IUPAC Namebis(2-methylphenyl)-propan-2-ylarsane
SMILESCc1ccccc1[As](c1ccccc1C)C(C)C
InChIInChI=1S/C17H21As/c1-13(2)18(16-11-7-5-9-14(16)3)17-12-8-6-10-15(17)4/h5-13H,1-4H3
InChIKeyIAURRVKQVLRXDC-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2-methylphenyl)arsonous acid
CID 71382438
1,2-xylene
CID 173422016
benzene;1,2-xylene
CID 161464493
1,2-xylene;trihydrochloride
CID 70594732
1,2-xylene;zirconium
CID 174354618
vanadium;1,2-xylene
CID 143581691
1,2-xylene;tetrahydrobromide
CID 172843014
silver;1,2-xylene
CID 158486133
azane;1,2-xylene
CID 174280305
azane;1,2-xylene;hydrate
CID 158522930
sodium;hydride;1,2-xylene
CID 173009635
CID 174747854
CID 174747854

Frequently Asked Questions

What is the IUPAC name of bis(2-methylphenyl)-propan-2-ylarsane?
The IUPAC name of bis(2-methylphenyl)-propan-2-ylarsane (CID 71443742) is bis(2-methylphenyl)-propan-2-ylarsane.
What is the SMILES notation for bis(2-methylphenyl)-propan-2-ylarsane?
The canonical SMILES for bis(2-methylphenyl)-propan-2-ylarsane is Cc1ccccc1[As](c1ccccc1C)C(C)C.
What is the InChIKey of bis(2-methylphenyl)-propan-2-ylarsane?
The InChIKey is IAURRVKQVLRXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21As/c1-13(2)18(16-11-7-5-9-14(16)3)17-12-8-6-10-15(17)4/h5-13H,1-4H3.
What are the key properties of bis(2-methylphenyl)-propan-2-ylarsane?
bis(2-methylphenyl)-propan-2-ylarsane has a molecular weight of 300.28 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylphenyl)-propan-2-ylarsane is sourced from PubChem (CID 71443742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).