1-octoxypropylarsane

C11H25AsO — CID 173268691

IUPAC1-octoxypropylarsane
SMILESCCCCCCCCOC([AsH2])CC
InChIInChI=1S/C11H25AsO/c1-3-5-6-7-8-9-10-13-11(12)4-2/h11H,3-10,12H2,1-2H3
InChIKeyMQLGRGJUELJJKO-UHFFFAOYSA-N
MW248.24 g/mol
LogP2.73
Rot. Bonds9

About 1-octoxypropylarsane

1-octoxypropylarsane (PubChem CID 173268691) has the molecular formula C11H25AsO and a molecular weight of 248.24 g/mol. Its IUPAC name is 1-octoxypropylarsane.

Molecular Properties

Compound Name1-octoxypropylarsane
PubChem CID173268691
Molecular FormulaC11H25AsO
Molecular Weight248.24 g/mol
Exact Mass248.11
IUPAC Name1-octoxypropylarsane
SMILESCCCCCCCCOC([AsH2])CC
InChIInChI=1S/C11H25AsO/c1-3-5-6-7-8-9-10-13-11(12)4-2/h11H,3-10,12H2,1-2H3
InChIKeyMQLGRGJUELJJKO-UHFFFAOYSA-N
XLogP2.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

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CID 173279604
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2-hexadecoxypropane-1,3-diol
CID 12924931
1-hexoxypropylsilane
CID 174351834
1-undecoxypropan-1-ol
CID 139971923
1-heptoxypropan-1-ol
CID 19598529
1-(1-chloropropoxy)icosane
CID 139652082
3-nonoxypentan-1-ol
CID 141114457
octoxymethanediamine
CID 142625053
icosoxymethanediol
CID 175975847
didodecoxymethylsilane
CID 172799979

Frequently Asked Questions

What is the IUPAC name of 1-octoxypropylarsane?
The IUPAC name of 1-octoxypropylarsane (CID 173268691) is 1-octoxypropylarsane.
What is the SMILES notation for 1-octoxypropylarsane?
The canonical SMILES for 1-octoxypropylarsane is CCCCCCCCOC([AsH2])CC.
What is the InChIKey of 1-octoxypropylarsane?
The InChIKey is MQLGRGJUELJJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25AsO/c1-3-5-6-7-8-9-10-13-11(12)4-2/h11H,3-10,12H2,1-2H3.
What are the key properties of 1-octoxypropylarsane?
1-octoxypropylarsane has a molecular weight of 248.24 g/mol, XLogP of 2.73, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octoxypropylarsane is sourced from PubChem (CID 173268691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).