CID 139211739

C8H13O2Se — CID 139211739

IUPAC—
SMILESCC1C(=O)OC(C)(C)C1(C)[Se]
InChIInChI=1S/C8H13O2Se/c1-5-6(9)10-7(2,3)8(5,4)11/h5H,1-4H3
InChIKeyODDIBPRUGIUPMX-UHFFFAOYSA-N
MW220.15 g/mol
LogP1.30
Rot. Bonds

About CID 139211739

CID 139211739 (PubChem CID 139211739) has the molecular formula C8H13O2Se and a molecular weight of 220.15 g/mol.

Molecular Properties

Compound NameCID 139211739
PubChem CID139211739
Molecular FormulaC8H13O2Se
Molecular Weight220.15 g/mol
Exact Mass221.01
IUPAC Name—
SMILESCC1C(=O)OC(C)(C)C1(C)[Se]
InChIInChI=1S/C8H13O2Se/c1-5-6(9)10-7(2,3)8(5,4)11/h5H,1-4H3
InChIKeyODDIBPRUGIUPMX-UHFFFAOYSA-N
XLogP1.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 139211739 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 139211739?
The IUPAC name of CID 139211739 (CID 139211739) is not available.
What is the SMILES notation for CID 139211739?
The canonical SMILES for CID 139211739 is CC1C(=O)OC(C)(C)C1(C)[Se].
What is the InChIKey of CID 139211739?
The InChIKey is ODDIBPRUGIUPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13O2Se/c1-5-6(9)10-7(2,3)8(5,4)11/h5H,1-4H3.
What are the key properties of CID 139211739?
CID 139211739 has a molecular weight of 220.15 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139211739 is sourced from PubChem (CID 139211739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).