bis(2-methylheptan-2-yl)arsane

C16H35As — CID 15724792

IUPACbis(2-methylheptan-2-yl)arsane
SMILESCCCCCC(C)(C)[AsH]C(C)(C)CCCCC
InChIInChI=1S/C16H35As/c1-7-9-11-13-15(3,4)17-16(5,6)14-12-10-8-2/h17H,7-14H2,1-6H3
InChIKeyKUYJQXMIWWYNIS-UHFFFAOYSA-N
MW302.38 g/mol
LogP5.98
Rot. Bonds10

About bis(2-methylheptan-2-yl)arsane

bis(2-methylheptan-2-yl)arsane (PubChem CID 15724792) has the molecular formula C16H35As and a molecular weight of 302.38 g/mol. Its IUPAC name is bis(2-methylheptan-2-yl)arsane.

Molecular Properties

Compound Namebis(2-methylheptan-2-yl)arsane
PubChem CID15724792
Molecular FormulaC16H35As
Molecular Weight302.38 g/mol
Exact Mass302.20
IUPAC Namebis(2-methylheptan-2-yl)arsane
SMILESCCCCCC(C)(C)[AsH]C(C)(C)CCCCC
InChIInChI=1S/C16H35As/c1-7-9-11-13-15(3,4)17-16(5,6)14-12-10-8-2/h17H,7-14H2,1-6H3
InChIKeyKUYJQXMIWWYNIS-UHFFFAOYSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.38
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

11-methyl-11-nonylhenicosane
CID 19690388
13-methyl-13-octylhentriacontane
CID 173152457
16,16,21,21-tetramethylhexatriacontane
CID 174880889
hexane;molybdenum
CID 162092649
6,6-dipentylundecane
CID 19690398
2,2-dimethyloctan-1-amine
CID 62739423
2,2-dimethylundecane;hydrobromide
CID 172814192
5-butyl-5-methylpentadecane
CID 174700907
azane;2,2-dimethylundecane
CID 172735807
4-methyl-4-propylnonane
CID 54241684
9-phosphanylheptacosan-9-ylphosphane
CID 174586813
5,5,6,6-tetramethyltridecane
CID 173349107

Frequently Asked Questions

What is the IUPAC name of bis(2-methylheptan-2-yl)arsane?
The IUPAC name of bis(2-methylheptan-2-yl)arsane (CID 15724792) is bis(2-methylheptan-2-yl)arsane.
What is the SMILES notation for bis(2-methylheptan-2-yl)arsane?
The canonical SMILES for bis(2-methylheptan-2-yl)arsane is CCCCCC(C)(C)[AsH]C(C)(C)CCCCC.
What is the InChIKey of bis(2-methylheptan-2-yl)arsane?
The InChIKey is KUYJQXMIWWYNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35As/c1-7-9-11-13-15(3,4)17-16(5,6)14-12-10-8-2/h17H,7-14H2,1-6H3.
What are the key properties of bis(2-methylheptan-2-yl)arsane?
bis(2-methylheptan-2-yl)arsane has a molecular weight of 302.38 g/mol, XLogP of 5.98, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylheptan-2-yl)arsane is sourced from PubChem (CID 15724792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).