tris(4-ethoxybutyl) arsorite

C18H39AsO6 — CID 139727024

IUPACtris(4-ethoxybutyl) arsorite
SMILESCCOCCCCO[As](OCCCCOCC)OCCCCOCC
InChIInChI=1S/C18H39AsO6/c1-4-20-13-7-10-16-23-19(24-17-11-8-14-21-5-2)25-18-12-9-15-22-6-3/h4-18H2,1-3H3
InChIKeyFCGVJNQGTMZNSN-UHFFFAOYSA-N
MW426.43 g/mol
LogP3.47
Rot. Bonds21

About tris(4-ethoxybutyl) arsorite

tris(4-ethoxybutyl) arsorite (PubChem CID 139727024) has the molecular formula C18H39AsO6 and a molecular weight of 426.43 g/mol. Its IUPAC name is tris(4-ethoxybutyl) arsorite.

Molecular Properties

Compound Nametris(4-ethoxybutyl) arsorite
PubChem CID139727024
Molecular FormulaC18H39AsO6
Molecular Weight426.43 g/mol
Exact Mass426.20
IUPAC Nametris(4-ethoxybutyl) arsorite
SMILESCCOCCCCO[As](OCCCCOCC)OCCCCOCC
InChIInChI=1S/C18H39AsO6/c1-4-20-13-7-10-16-23-19(24-17-11-8-14-21-5-2)25-18-12-9-15-22-6-3/h4-18H2,1-3H3
InChIKeyFCGVJNQGTMZNSN-UHFFFAOYSA-N
XLogP3.47
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.43
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

4-ethoxybutoxymethanamine
CID 87914089
4-ethoxybutoxymethanethiol
CID 87914042
ethane;1-ethoxybutane
CID 143206406
1-(3-ethoxypropoxy)-4-methoxybutane
CID 59660847
1-(3-ethoxypropoxy)tetradecane
CID 91693148
10-ethoxydecan-1-ol
CID 22412883
4-ethoxybutan-1-amine;hydrochloride
CID 87771260
1-chloro-14-ethoxytetradecane
CID 173330502
3-(4-ethoxybutoxy)propan-1-amine
CID 87914179
4-(2-ethoxyethoxy)butan-1-ol
CID 15885586
1-ethoxy-14-(8-fluorooctoxy)tetradecane
CID 139714700
1-ethoxy-3-(3-ethoxypropoxymethoxy)propane;methane
CID 165051795

Frequently Asked Questions

What is the IUPAC name of tris(4-ethoxybutyl) arsorite?
The IUPAC name of tris(4-ethoxybutyl) arsorite (CID 139727024) is tris(4-ethoxybutyl) arsorite.
What is the SMILES notation for tris(4-ethoxybutyl) arsorite?
The canonical SMILES for tris(4-ethoxybutyl) arsorite is CCOCCCCO[As](OCCCCOCC)OCCCCOCC.
What is the InChIKey of tris(4-ethoxybutyl) arsorite?
The InChIKey is FCGVJNQGTMZNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39AsO6/c1-4-20-13-7-10-16-23-19(24-17-11-8-14-21-5-2)25-18-12-9-15-22-6-3/h4-18H2,1-3H3.
What are the key properties of tris(4-ethoxybutyl) arsorite?
tris(4-ethoxybutyl) arsorite has a molecular weight of 426.43 g/mol, XLogP of 3.47, 21 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-ethoxybutyl) arsorite is sourced from PubChem (CID 139727024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).