CID 139211727

C10H15O4Se — CID 139211727

IUPAC—
SMILESCCOC(=O)CC1C(=O)OC(CC)C1[Se]
InChIInChI=1S/C10H15O4Se/c1-3-7-9(15)6(10(12)14-7)5-8(11)13-4-2/h6-7,9H,3-5H2,1-2H3
InChIKeyNJTXVOLMTOKIEH-UHFFFAOYSA-N
MW278.19 g/mol
LogP0.85
Rot. Bonds4

About CID 139211727

CID 139211727 (PubChem CID 139211727) has the molecular formula C10H15O4Se and a molecular weight of 278.19 g/mol.

Molecular Properties

Compound NameCID 139211727
PubChem CID139211727
Molecular FormulaC10H15O4Se
Molecular Weight278.19 g/mol
Exact Mass279.01
IUPAC Name—
SMILESCCOC(=O)CC1C(=O)OC(CC)C1[Se]
InChIInChI=1S/C10H15O4Se/c1-3-7-9(15)6(10(12)14-7)5-8(11)13-4-2/h6-7,9H,3-5H2,1-2H3
InChIKeyNJTXVOLMTOKIEH-UHFFFAOYSA-N
XLogP0.85
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 139211727?
The IUPAC name of CID 139211727 (CID 139211727) is not available.
What is the SMILES notation for CID 139211727?
The canonical SMILES for CID 139211727 is CCOC(=O)CC1C(=O)OC(CC)C1[Se].
What is the InChIKey of CID 139211727?
The InChIKey is NJTXVOLMTOKIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15O4Se/c1-3-7-9(15)6(10(12)14-7)5-8(11)13-4-2/h6-7,9H,3-5H2,1-2H3.
What are the key properties of CID 139211727?
CID 139211727 has a molecular weight of 278.19 g/mol, XLogP of 0.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139211727 is sourced from PubChem (CID 139211727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).