potassium 2-benzylselanylacetate

C9H9KO2Se — CID 23697851

IUPACpotassium 2-benzylselanylacetate
SMILESO=C([O-])C[Se]Cc1ccccc1.[K+]
InChIInChI=1S/C9H10O2Se.K/c10-9(11)7-12-6-8-4-2-1-3-5-8;/h1-5H,6-7H2,(H,10,11);/q;+1/p-1
InChIKeyLWIVQNFQTALDIW-UHFFFAOYSA-M
MW267.23 g/mol
LogP-2.94
Rot. Bonds4

About potassium 2-benzylselanylacetate

potassium 2-benzylselanylacetate (PubChem CID 23697851) has the molecular formula C9H9KO2Se and a molecular weight of 267.23 g/mol. Its IUPAC name is potassium 2-benzylselanylacetate.

Molecular Properties

Compound Namepotassium 2-benzylselanylacetate
PubChem CID23697851
Molecular FormulaC9H9KO2Se
Molecular Weight267.23 g/mol
Exact Mass267.94
IUPAC Namepotassium 2-benzylselanylacetate
SMILESO=C([O-])C[Se]Cc1ccccc1.[K+]
InChIInChI=1S/C9H10O2Se.K/c10-9(11)7-12-6-8-4-2-1-3-5-8;/h1-5H,6-7H2,(H,10,11);/q;+1/p-1
InChIKeyLWIVQNFQTALDIW-UHFFFAOYSA-M
XLogP-2.94
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.23
LogP ≤ 5-2.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

lithium 2-phenylacetate
CID 19205773
1,2,3,4,5,6-hexakis(benzylselanylmethyl)benzene
CID 4054244
2-benzylselanylethanol
CID 3800027
benzyltin(3+) triacetate
CID 161126164
5-benzylselanylpentanoic acid
CID 14962398
4-benzylselanyl-3,3-dimethylbutanoic acid
CID 561464
potassium 15-phenylpentadecanoate
CID 23717018
3,3-dibromo-4-phenylbutan-2-one
CID 20690158
(2R)-2-azaniumyl-2-benzyl-3-hydroxypropanoate
CID 7167573
dipotassium;2-benzyl-2-tert-butylpropanedioate
CID 139412006
lithium 4-phenylbutanoate
CID 50923149
calcium bis(4-phenylbutanoate)
CID 11187721

Frequently Asked Questions

What is the IUPAC name of potassium 2-benzylselanylacetate?
The IUPAC name of potassium 2-benzylselanylacetate (CID 23697851) is potassium 2-benzylselanylacetate.
What is the SMILES notation for potassium 2-benzylselanylacetate?
The canonical SMILES for potassium 2-benzylselanylacetate is O=C([O-])C[Se]Cc1ccccc1.[K+].
What is the InChIKey of potassium 2-benzylselanylacetate?
The InChIKey is LWIVQNFQTALDIW-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H10O2Se.K/c10-9(11)7-12-6-8-4-2-1-3-5-8;/h1-5H,6-7H2,(H,10,11);/q;+1/p-1.
What are the key properties of potassium 2-benzylselanylacetate?
potassium 2-benzylselanylacetate has a molecular weight of 267.23 g/mol, XLogP of -2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-benzylselanylacetate is sourced from PubChem (CID 23697851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).