CID 155545800

C6H11OSSe — CID 155545800

IUPAC—
SMILESC=CCOCC(S)C[Se]
InChIInChI=1S/C6H11OSSe/c1-2-3-7-4-6(8)5-9/h2,6,8H,1,3-5H2
InChIKeyBOAUIYPIOPHCFN-UHFFFAOYSA-N
MW210.18 g/mol
LogP1.07
Rot. Bonds5

About CID 155545800

CID 155545800 (PubChem CID 155545800) has the molecular formula C6H11OSSe and a molecular weight of 210.18 g/mol.

Molecular Properties

Compound NameCID 155545800
PubChem CID155545800
Molecular FormulaC6H11OSSe
Molecular Weight210.18 g/mol
Exact Mass210.97
IUPAC Name—
SMILESC=CCOCC(S)C[Se]
InChIInChI=1S/C6H11OSSe/c1-2-3-7-4-6(8)5-9/h2,6,8H,1,3-5H2
InChIKeyBOAUIYPIOPHCFN-UHFFFAOYSA-N
XLogP1.07
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 51.07
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'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 155545800?
The IUPAC name of CID 155545800 (CID 155545800) is not available.
What is the SMILES notation for CID 155545800?
The canonical SMILES for CID 155545800 is C=CCOCC(S)C[Se].
What is the InChIKey of CID 155545800?
The InChIKey is BOAUIYPIOPHCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11OSSe/c1-2-3-7-4-6(8)5-9/h2,6,8H,1,3-5H2.
What are the key properties of CID 155545800?
CID 155545800 has a molecular weight of 210.18 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155545800 is sourced from PubChem (CID 155545800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).