CID 20537348

C10H11OSe — CID 20537348

IUPAC—
SMILESCC(Cc1ccccc1)C(=O)[Se]
InChIInChI=1S/C10H11OSe/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKeyXHPJXTZQMKZXDT-UHFFFAOYSA-N
MW226.16 g/mol
LogP1.56
Rot. Bonds3

About CID 20537348

CID 20537348 (PubChem CID 20537348) has the molecular formula C10H11OSe and a molecular weight of 226.16 g/mol.

Molecular Properties

Compound NameCID 20537348
PubChem CID20537348
Molecular FormulaC10H11OSe
Molecular Weight226.16 g/mol
Exact Mass227.00
IUPAC Name—
SMILESCC(Cc1ccccc1)C(=O)[Se]
InChIInChI=1S/C10H11OSe/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKeyXHPJXTZQMKZXDT-UHFFFAOYSA-N
XLogP1.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.16
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-methyl-3-phenylpropanoic acid
CID 90856303
calcium 2-methyl-3-phenylpropanoic acid
CID 51348696
(2-methyl-3-phenylpropanoyl) 2-methyl-3-phenylpropanoate
CID 170643388
methyl 2-methyl-3-phenylpropanoate
CID 11105919
CID 163877038
CID 163877038
4-chloro-2-methyl-1-phenylpentan-3-one
CID 15444575
2-methyl-3-phenylpropanoyl cyanide
CID 130030635
4-methyl-5-phenylpent-1-en-3-one
CID 21353103
4-methyl-3-oxo-5-phenylpentanoate
CID 23004149
N-ethyl-2-methyl-3-phenylpropanamide
CID 58846627
oxalic acid;1-phenylpropan-2-ol
CID 162336088
(2S,5R)-2-benzyl-5-methyl-4-oxo-6-phenylhexanoic acid
CID 71031571

Frequently Asked Questions

What is the IUPAC name of CID 20537348?
The IUPAC name of CID 20537348 (CID 20537348) is not available.
What is the SMILES notation for CID 20537348?
The canonical SMILES for CID 20537348 is CC(Cc1ccccc1)C(=O)[Se].
What is the InChIKey of CID 20537348?
The InChIKey is XHPJXTZQMKZXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11OSe/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3.
What are the key properties of CID 20537348?
CID 20537348 has a molecular weight of 226.16 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20537348 is sourced from PubChem (CID 20537348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).