CID 155537772

C6H11O2Se — CID 155537772

IUPAC—
SMILESC=CCOCC(O)C[Se]
InChIInChI=1S/C6H11O2Se/c1-2-3-8-4-6(7)5-9/h2,6-7H,1,3-5H2
InChIKeyVLFRPQMOSFFUAD-UHFFFAOYSA-N
MW194.11 g/mol
LogP0.14
Rot. Bonds5

About CID 155537772

CID 155537772 (PubChem CID 155537772) has the molecular formula C6H11O2Se and a molecular weight of 194.11 g/mol.

Molecular Properties

Compound NameCID 155537772
PubChem CID155537772
Molecular FormulaC6H11O2Se
Molecular Weight194.11 g/mol
Exact Mass194.99
IUPAC Name—
SMILESC=CCOCC(O)C[Se]
InChIInChI=1S/C6H11O2Se/c1-2-3-8-4-6(7)5-9/h2,6-7H,1,3-5H2
InChIKeyVLFRPQMOSFFUAD-UHFFFAOYSA-N
XLogP0.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.11
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 155537772?
The IUPAC name of CID 155537772 (CID 155537772) is not available.
What is the SMILES notation for CID 155537772?
The canonical SMILES for CID 155537772 is C=CCOCC(O)C[Se].
What is the InChIKey of CID 155537772?
The InChIKey is VLFRPQMOSFFUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O2Se/c1-2-3-8-4-6(7)5-9/h2,6-7H,1,3-5H2.
What are the key properties of CID 155537772?
CID 155537772 has a molecular weight of 194.11 g/mol, XLogP of 0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155537772 is sourced from PubChem (CID 155537772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).