CID 139211731

C15H25O4Se — CID 139211731

IUPAC—
SMILESCCCCCCCCC1OC(=O)C(CC(=O)OC)C1[Se]
InChIInChI=1S/C15H25O4Se/c1-3-4-5-6-7-8-9-12-14(20)11(15(17)19-12)10-13(16)18-2/h11-12,14H,3-10H2,1-2H3
InChIKeyFUADMDAJEVGWDT-UHFFFAOYSA-N
MW348.32 g/mol
LogP2.80
Rot. Bonds9

About CID 139211731

CID 139211731 (PubChem CID 139211731) has the molecular formula C15H25O4Se and a molecular weight of 348.32 g/mol.

Molecular Properties

Compound NameCID 139211731
PubChem CID139211731
Molecular FormulaC15H25O4Se
Molecular Weight348.32 g/mol
Exact Mass349.09
IUPAC Name—
SMILESCCCCCCCCC1OC(=O)C(CC(=O)OC)C1[Se]
InChIInChI=1S/C15H25O4Se/c1-3-4-5-6-7-8-9-12-14(20)11(15(17)19-12)10-13(16)18-2/h11-12,14H,3-10H2,1-2H3
InChIKeyFUADMDAJEVGWDT-UHFFFAOYSA-N
XLogP2.80
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 139211731?
The IUPAC name of CID 139211731 (CID 139211731) is not available.
What is the SMILES notation for CID 139211731?
The canonical SMILES for CID 139211731 is CCCCCCCCC1OC(=O)C(CC(=O)OC)C1[Se].
What is the InChIKey of CID 139211731?
The InChIKey is FUADMDAJEVGWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25O4Se/c1-3-4-5-6-7-8-9-12-14(20)11(15(17)19-12)10-13(16)18-2/h11-12,14H,3-10H2,1-2H3.
What are the key properties of CID 139211731?
CID 139211731 has a molecular weight of 348.32 g/mol, XLogP of 2.80, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139211731 is sourced from PubChem (CID 139211731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).