CID 87732165

C12H18BO2Se — CID 87732165

IUPAC—
SMILESCC(C)(O)C(C)(C)O[Se]c1ccccc1.[B]
InChIInChI=1S/C12H18O2Se.B/c1-11(2,13)12(3,4)14-15-10-8-6-5-7-9-10;/h5-9,13H,1-4H3;
InChIKeyCHXZVQZEJUGXLG-UHFFFAOYSA-N
MW284.05 g/mol
LogP1.12
Rot. Bonds4

About CID 87732165

CID 87732165 (PubChem CID 87732165) has the molecular formula C12H18BO2Se and a molecular weight of 284.05 g/mol.

Molecular Properties

Compound NameCID 87732165
PubChem CID87732165
Molecular FormulaC12H18BO2Se
Molecular Weight284.05 g/mol
Exact Mass285.06
IUPAC Name—
SMILESCC(C)(O)C(C)(C)O[Se]c1ccccc1.[B]
InChIInChI=1S/C12H18O2Se.B/c1-11(2,13)12(3,4)14-15-10-8-6-5-7-9-10;/h5-9,13H,1-4H3;
InChIKeyCHXZVQZEJUGXLG-UHFFFAOYSA-N
XLogP1.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.05
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 87732165?
The IUPAC name of CID 87732165 (CID 87732165) is not available.
What is the SMILES notation for CID 87732165?
The canonical SMILES for CID 87732165 is CC(C)(O)C(C)(C)O[Se]c1ccccc1.[B].
What is the InChIKey of CID 87732165?
The InChIKey is CHXZVQZEJUGXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2Se.B/c1-11(2,13)12(3,4)14-15-10-8-6-5-7-9-10;/h5-9,13H,1-4H3;.
What are the key properties of CID 87732165?
CID 87732165 has a molecular weight of 284.05 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87732165 is sourced from PubChem (CID 87732165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).