2-arsanylbutan-2-ol

C4H11AsO — CID 173005032

IUPAC2-arsanylbutan-2-ol
SMILESCCC(C)(O)[AsH2]
InChIInChI=1S/C4H11AsO/c1-3-4(2,5)6/h6H,3,5H2,1-2H3
InChIKeyPRZJDDZGZVAEPF-UHFFFAOYSA-N
MW150.05 g/mol
LogP-0.26
Rot. Bonds1

About 2-arsanylbutan-2-ol

2-arsanylbutan-2-ol (PubChem CID 173005032) has the molecular formula C4H11AsO and a molecular weight of 150.05 g/mol. Its IUPAC name is 2-arsanylbutan-2-ol.

Molecular Properties

Compound Name2-arsanylbutan-2-ol
PubChem CID173005032
Molecular FormulaC4H11AsO
Molecular Weight150.05 g/mol
Exact Mass150.00
IUPAC Name2-arsanylbutan-2-ol
SMILESCCC(C)(O)[AsH2]
InChIInChI=1S/C4H11AsO/c1-3-4(2,5)6/h6H,3,5H2,1-2H3
InChIKeyPRZJDDZGZVAEPF-UHFFFAOYSA-N
XLogP-0.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.05
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methanamine;2-methylbutan-2-ol
CID 142079467
sodium;hydride;bis(2-methylbutan-2-ol)
CID 174951100
azane;3-methylpentan-3-ol
CID 87107560
(2S)-2-iodobutan-2-ol
CID 126611697
hafnium;3-methylpentan-3-ol
CID 154175223
2-hydroxy-2-methylbutanethial
CID 91610862
2-aminobutan-2-ol;propane
CID 174346487
(3R)-2,3-dimethylpentane-2,3-diol
CID 118219388
3-ethyl-3-(2-hydroxypropan-2-yl)-2,4-dimethylpentane-2,4-diol
CID 87908652
3-ethyl-2,3-dimethylpentan-2-ol
CID 53428948
butane;propane-2,2-diol
CID 142587058
3-ethyl-3-methylpentane;methanol
CID 143799596

Frequently Asked Questions

What is the IUPAC name of 2-arsanylbutan-2-ol?
The IUPAC name of 2-arsanylbutan-2-ol (CID 173005032) is 2-arsanylbutan-2-ol.
What is the SMILES notation for 2-arsanylbutan-2-ol?
The canonical SMILES for 2-arsanylbutan-2-ol is CCC(C)(O)[AsH2].
What is the InChIKey of 2-arsanylbutan-2-ol?
The InChIKey is PRZJDDZGZVAEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11AsO/c1-3-4(2,5)6/h6H,3,5H2,1-2H3.
What are the key properties of 2-arsanylbutan-2-ol?
2-arsanylbutan-2-ol has a molecular weight of 150.05 g/mol, XLogP of -0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-arsanylbutan-2-ol is sourced from PubChem (CID 173005032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).