tripropyl arsorite

C9H21AsO3 — CID 606254

IUPACtripropyl arsorite
SMILESCCCO[As](OCCC)OCCC
InChIInChI=1S/C9H21AsO3/c1-4-7-11-10(12-8-5-2)13-9-6-3/h4-9H2,1-3H3
InChIKeyBATFUWDLGDPNDC-UHFFFAOYSA-N
MW252.19 g/mol
LogP2.25
Rot. Bonds9

About tripropyl arsorite

tripropyl arsorite (PubChem CID 606254) has the molecular formula C9H21AsO3 and a molecular weight of 252.19 g/mol. Its IUPAC name is tripropyl arsorite.

Molecular Properties

Compound Nametripropyl arsorite
PubChem CID606254
Molecular FormulaC9H21AsO3
Molecular Weight252.19 g/mol
Exact Mass252.07
IUPAC Nametripropyl arsorite
SMILESCCCO[As](OCCC)OCCC
InChIInChI=1S/C9H21AsO3/c1-4-7-11-10(12-8-5-2)13-9-6-3/h4-9H2,1-3H3
InChIKeyBATFUWDLGDPNDC-UHFFFAOYSA-N
XLogP2.25
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.19
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 tripropyl arsorite?
The IUPAC name of tripropyl arsorite (CID 606254) is tripropyl arsorite.
What is the SMILES notation for tripropyl arsorite?
The canonical SMILES for tripropyl arsorite is CCCO[As](OCCC)OCCC.
What is the InChIKey of tripropyl arsorite?
The InChIKey is BATFUWDLGDPNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21AsO3/c1-4-7-11-10(12-8-5-2)13-9-6-3/h4-9H2,1-3H3.
What are the key properties of tripropyl arsorite?
tripropyl arsorite has a molecular weight of 252.19 g/mol, XLogP of 2.25, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tripropyl arsorite is sourced from PubChem (CID 606254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).