CID 139211729

C11H17O4Se — CID 139211729

IUPAC—
SMILESCCCCC1OC(=O)C(CC(=O)OC)C1[Se]
InChIInChI=1S/C11H17O4Se/c1-3-4-5-8-10(16)7(11(13)15-8)6-9(12)14-2/h7-8,10H,3-6H2,1-2H3
InChIKeyFUEYEGMYWSFYIV-UHFFFAOYSA-N
MW292.21 g/mol
LogP1.24
Rot. Bonds5

About CID 139211729

CID 139211729 (PubChem CID 139211729) has the molecular formula C11H17O4Se and a molecular weight of 292.21 g/mol.

Molecular Properties

Compound NameCID 139211729
PubChem CID139211729
Molecular FormulaC11H17O4Se
Molecular Weight292.21 g/mol
Exact Mass293.03
IUPAC Name—
SMILESCCCCC1OC(=O)C(CC(=O)OC)C1[Se]
InChIInChI=1S/C11H17O4Se/c1-3-4-5-8-10(16)7(11(13)15-8)6-9(12)14-2/h7-8,10H,3-6H2,1-2H3
InChIKeyFUEYEGMYWSFYIV-UHFFFAOYSA-N
XLogP1.24
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 51.24
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 139211729?
The IUPAC name of CID 139211729 (CID 139211729) is not available.
What is the SMILES notation for CID 139211729?
The canonical SMILES for CID 139211729 is CCCCC1OC(=O)C(CC(=O)OC)C1[Se].
What is the InChIKey of CID 139211729?
The InChIKey is FUEYEGMYWSFYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17O4Se/c1-3-4-5-8-10(16)7(11(13)15-8)6-9(12)14-2/h7-8,10H,3-6H2,1-2H3.
What are the key properties of CID 139211729?
CID 139211729 has a molecular weight of 292.21 g/mol, XLogP of 1.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139211729 is sourced from PubChem (CID 139211729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).