(4-pentan-3-ylphenyl)arsane

C11H17As — CID 173084602

IUPAC(4-pentan-3-ylphenyl)arsane
SMILESCCC(CC)c1ccc([AsH2])cc1
InChIInChI=1S/C11H17As/c1-3-9(4-2)10-5-7-11(12)8-6-10/h5-9H,3-4,12H2,1-2H3
InChIKeyBRJMYKGZLRRGHZ-UHFFFAOYSA-N
MW224.18 g/mol
LogP1.85
Rot. Bonds3

About (4-pentan-3-ylphenyl)arsane

(4-pentan-3-ylphenyl)arsane (PubChem CID 173084602) has the molecular formula C11H17As and a molecular weight of 224.18 g/mol. Its IUPAC name is (4-pentan-3-ylphenyl)arsane.

Molecular Properties

Compound Name(4-pentan-3-ylphenyl)arsane
PubChem CID173084602
Molecular FormulaC11H17As
Molecular Weight224.18 g/mol
Exact Mass224.05
IUPAC Name(4-pentan-3-ylphenyl)arsane
SMILESCCC(CC)c1ccc([AsH2])cc1
InChIInChI=1S/C11H17As/c1-3-9(4-2)10-5-7-11(12)8-6-10/h5-9H,3-4,12H2,1-2H3
InChIKeyBRJMYKGZLRRGHZ-UHFFFAOYSA-N
XLogP1.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (4-pentan-3-ylphenyl)arsane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-pentan-3-yl-4-[(4-pentan-3-ylphenyl)disulfanyl]benzene
CID 57099272
1-(4-pentan-3-ylphenyl)ethanamine
CID 83829968
azane;pentan-3-ylbenzene
CID 19774895
1-tert-butyl-4-pentan-3-ylbenzene;ethane;yttrium
CID 178166385
1-butan-2-yl-4-[5-(4-pentan-3-ylphenyl)hexan-3-yl]benzene
CID 54004386
2-(4-pentan-3-ylphenyl)propan-2-ol
CID 117295268
zinc tetrakis(4-pentan-3-ylpyridine)
CID 50909730
3-(4-pentan-3-ylphenyl)propanal
CID 117292920
1-(4-pentan-3-ylphenyl)pyrrolidine
CID 168513845
1-(4-pentan-3-ylphenyl)piperidine
CID 170127380
(2R)-2-(4-bromophenyl)butan-1-ol
CID 59315157
2-chloro-5-pentan-3-ylpyridine
CID 134459618

Frequently Asked Questions

What is the IUPAC name of (4-pentan-3-ylphenyl)arsane?
The IUPAC name of (4-pentan-3-ylphenyl)arsane (CID 173084602) is (4-pentan-3-ylphenyl)arsane.
What is the SMILES notation for (4-pentan-3-ylphenyl)arsane?
The canonical SMILES for (4-pentan-3-ylphenyl)arsane is CCC(CC)c1ccc([AsH2])cc1.
What is the InChIKey of (4-pentan-3-ylphenyl)arsane?
The InChIKey is BRJMYKGZLRRGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17As/c1-3-9(4-2)10-5-7-11(12)8-6-10/h5-9H,3-4,12H2,1-2H3.
What are the key properties of (4-pentan-3-ylphenyl)arsane?
(4-pentan-3-ylphenyl)arsane has a molecular weight of 224.18 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pentan-3-ylphenyl)arsane is sourced from PubChem (CID 173084602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).