1-dimethylarsanylethyl prop-2-enoate

C7H13AsO2 — CID 87979584

IUPAC1-dimethylarsanylethyl prop-2-enoate
SMILESC=CC(=O)OC(C)[As](C)C
InChIInChI=1S/C7H13AsO2/c1-5-7(9)10-6(2)8(3)4/h5-6H,1H2,2-4H3
InChIKeyWIZGAVSAUMWXGZ-UHFFFAOYSA-N
MW204.10 g/mol
LogP1.40
Rot. Bonds3

About 1-dimethylarsanylethyl prop-2-enoate

1-dimethylarsanylethyl prop-2-enoate (PubChem CID 87979584) has the molecular formula C7H13AsO2 and a molecular weight of 204.10 g/mol. Its IUPAC name is 1-dimethylarsanylethyl prop-2-enoate.

Molecular Properties

Compound Name1-dimethylarsanylethyl prop-2-enoate
PubChem CID87979584
Molecular FormulaC7H13AsO2
Molecular Weight204.10 g/mol
Exact Mass204.01
IUPAC Name1-dimethylarsanylethyl prop-2-enoate
SMILESC=CC(=O)OC(C)[As](C)C
InChIInChI=1S/C7H13AsO2/c1-5-7(9)10-6(2)8(3)4/h5-6H,1H2,2-4H3
InChIKeyWIZGAVSAUMWXGZ-UHFFFAOYSA-N
XLogP1.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.10
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(1-prop-2-enoyloxyethoxy)ethyl prop-2-enoate
CID 18008699
6-prop-2-enoyloxyheptan-2-yl prop-2-enoate
CID 58537732
CID 172734708
CID 172734708
(1-hydroxy-2-methylpropyl) prop-2-enoate
CID 23103213
5-methylhexan-2-yl prop-2-enoate
CID 151222941
4-methylpent-4-en-2-yl prop-2-enoate
CID 102248237
methane;2-prop-2-enoyloxypropyl prop-2-enoate
CID 161351901
3,4-dimethylpent-3-en-2-yl prop-2-enoate
CID 175606841
[(3R,4S)-4-prop-2-enoyloxyhexa-1,5-dien-3-yl] prop-2-enoate
CID 57332053
sodium 4-oxobutan-2-yl prop-2-enoate
CID 161109002
4-prop-2-enoyloxypentanoic acid
CID 87568780
5-oxohept-6-en-2-yl prop-2-enoate
CID 23534043

Frequently Asked Questions

What is the IUPAC name of 1-dimethylarsanylethyl prop-2-enoate?
The IUPAC name of 1-dimethylarsanylethyl prop-2-enoate (CID 87979584) is 1-dimethylarsanylethyl prop-2-enoate.
What is the SMILES notation for 1-dimethylarsanylethyl prop-2-enoate?
The canonical SMILES for 1-dimethylarsanylethyl prop-2-enoate is C=CC(=O)OC(C)[As](C)C.
What is the InChIKey of 1-dimethylarsanylethyl prop-2-enoate?
The InChIKey is WIZGAVSAUMWXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13AsO2/c1-5-7(9)10-6(2)8(3)4/h5-6H,1H2,2-4H3.
What are the key properties of 1-dimethylarsanylethyl prop-2-enoate?
1-dimethylarsanylethyl prop-2-enoate has a molecular weight of 204.10 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethylarsanylethyl prop-2-enoate is sourced from PubChem (CID 87979584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).