cyclohexyl-[2-[cyclohexyl-(2-methoxyphenyl)arsanyl]ethyl]-(2-methoxyphenyl)arsane

C28H40As2O2 — CID 88738477

IUPACcyclohexyl-[2-[cyclohexyl-(2-methoxyphenyl)arsanyl]ethyl]-(2-methoxyphenyl)arsane
SMILESCOc1ccccc1[As](CC[As](c1ccccc1OC)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C28H40As2O2/c1-31-27-19-11-9-17-25(27)29(23-13-5-3-6-14-23)21-22-30(24-15-7-4-8-16-24)26-18-10-12-20-28(26)32-2/h9-12,17-20,23-24H,3-8,13-16,21-22H2,1-2H3
InChIKeyHKNKVABGDNONDU-UHFFFAOYSA-N
MW558.47 g/mol
LogP6.48
Rot. Bonds9

About cyclohexyl-[2-[cyclohexyl-(2-methoxyphenyl)arsanyl]ethyl]-(2-methoxyphenyl)arsane

cyclohexyl-[2-[cyclohexyl-(2-methoxyphenyl)arsanyl]ethyl]-(2-methoxyphenyl)arsane (PubChem CID 88738477) has the molecular formula C28H40As2O2 and a molecular weight of 558.47 g/mol. Its IUPAC name is cyclohexyl-[2-[cyclohexyl-(2-methoxyphenyl)arsanyl]ethyl]-(2-methoxyphenyl)arsane.

Molecular Properties

Compound Namecyclohexyl-[2-[cyclohexyl-(2-methoxyphenyl)arsanyl]ethyl]-(2-methoxyphenyl)arsane
PubChem CID88738477
Molecular FormulaC28H40As2O2
Molecular Weight558.47 g/mol
Exact Mass558.15
IUPAC Namecyclohexyl-[2-[cyclohexyl-(2-methoxyphenyl)arsanyl]ethyl]-(2-methoxyphenyl)arsane
SMILESCOc1ccccc1[As](CC[As](c1ccccc1OC)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C28H40As2O2/c1-31-27-19-11-9-17-25(27)29(23-13-5-3-6-14-23)21-22-30(24-15-7-4-8-16-24)26-18-10-12-20-28(26)32-2/h9-12,17-20,23-24H,3-8,13-16,21-22H2,1-2H3
InChIKeyHKNKVABGDNONDU-UHFFFAOYSA-N
XLogP6.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.47
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[2-[cyclohexyl-(2-methoxyphenyl)arsanyl]ethyl]-(2-methoxyphenyl)arsane?
The IUPAC name of cyclohexyl-[2-[cyclohexyl-(2-methoxyphenyl)arsanyl]ethyl]-(2-methoxyphenyl)arsane (CID 88738477) is cyclohexyl-[2-[cyclohexyl-(2-methoxyphenyl)arsanyl]ethyl]-(2-methoxyphenyl)arsane.
What is the SMILES notation for cyclohexyl-[2-[cyclohexyl-(2-methoxyphenyl)arsanyl]ethyl]-(2-methoxyphenyl)arsane?
The canonical SMILES for cyclohexyl-[2-[cyclohexyl-(2-methoxyphenyl)arsanyl]ethyl]-(2-methoxyphenyl)arsane is COc1ccccc1[As](CC[As](c1ccccc1OC)C1CCCCC1)C1CCCCC1.
What is the InChIKey of cyclohexyl-[2-[cyclohexyl-(2-methoxyphenyl)arsanyl]ethyl]-(2-methoxyphenyl)arsane?
The InChIKey is HKNKVABGDNONDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40As2O2/c1-31-27-19-11-9-17-25(27)29(23-13-5-3-6-14-23)21-22-30(24-15-7-4-8-16-24)26-18-10-12-20-28(26)32-2/h9-12,17-20,23-24H,3-8,13-16,21-22H2,1-2H3.
What are the key properties of cyclohexyl-[2-[cyclohexyl-(2-methoxyphenyl)arsanyl]ethyl]-(2-methoxyphenyl)arsane?
cyclohexyl-[2-[cyclohexyl-(2-methoxyphenyl)arsanyl]ethyl]-(2-methoxyphenyl)arsane has a molecular weight of 558.47 g/mol, XLogP of 6.48, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[2-[cyclohexyl-(2-methoxyphenyl)arsanyl]ethyl]-(2-methoxyphenyl)arsane is sourced from PubChem (CID 88738477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).