CID 154701098

C6H11O2Se — CID 154701098

IUPAC—
SMILESC=CCOC[C@@H](O)C[Se]
InChIInChI=1S/C6H11O2Se/c1-2-3-8-4-6(7)5-9/h2,6-7H,1,3-5H2/t6-/m1/s1
InChIKeyVLFRPQMOSFFUAD-ZCFIWIBFSA-N
MW194.11 g/mol
LogP0.14
Rot. Bonds5

About CID 154701098

CID 154701098 (PubChem CID 154701098) has the molecular formula C6H11O2Se and a molecular weight of 194.11 g/mol.

Molecular Properties

Compound NameCID 154701098
PubChem CID154701098
Molecular FormulaC6H11O2Se
Molecular Weight194.11 g/mol
Exact Mass194.99
IUPAC Name—
SMILESC=CCOC[C@@H](O)C[Se]
InChIInChI=1S/C6H11O2Se/c1-2-3-8-4-6(7)5-9/h2,6-7H,1,3-5H2/t6-/m1/s1
InChIKeyVLFRPQMOSFFUAD-ZCFIWIBFSA-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 154701098?
The IUPAC name of CID 154701098 (CID 154701098) is not available.
What is the SMILES notation for CID 154701098?
The canonical SMILES for CID 154701098 is C=CCOC[C@@H](O)C[Se].
What is the InChIKey of CID 154701098?
The InChIKey is VLFRPQMOSFFUAD-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H11O2Se/c1-2-3-8-4-6(7)5-9/h2,6-7H,1,3-5H2/t6-/m1/s1.
What are the key properties of CID 154701098?
CID 154701098 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 154701098 is sourced from PubChem (CID 154701098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).