CID 88924295

C9H22BO4 — CID 88924295

IUPAC—
SMILESCC(C)OC(C)(C)C(C)(C)O.O[B]O
InChIInChI=1S/C9H20O2.BH2O2/c1-7(2)11-9(5,6)8(3,4)10;2-1-3/h7,10H,1-6H3;2-3H
InChIKeyTTYXLHGWJGXQAI-UHFFFAOYSA-N
MW205.08 g/mol
LogP0.47
Rot. Bonds3

About CID 88924295

CID 88924295 (PubChem CID 88924295) has the molecular formula C9H22BO4 and a molecular weight of 205.08 g/mol.

Molecular Properties

Compound NameCID 88924295
PubChem CID88924295
Molecular FormulaC9H22BO4
Molecular Weight205.08 g/mol
Exact Mass205.16
IUPAC Name—
SMILESCC(C)OC(C)(C)C(C)(C)O.O[B]O
InChIInChI=1S/C9H20O2.BH2O2/c1-7(2)11-9(5,6)8(3,4)10;2-1-3/h7,10H,1-6H3;2-3H
InChIKeyTTYXLHGWJGXQAI-UHFFFAOYSA-N
XLogP0.47
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.08
LogP ≤ 50.47
H-Bond Donors ≤ 53
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 88924295?
The IUPAC name of CID 88924295 (CID 88924295) is not available.
What is the SMILES notation for CID 88924295?
The canonical SMILES for CID 88924295 is CC(C)OC(C)(C)C(C)(C)O.O[B]O.
What is the InChIKey of CID 88924295?
The InChIKey is TTYXLHGWJGXQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2.BH2O2/c1-7(2)11-9(5,6)8(3,4)10;2-1-3/h7,10H,1-6H3;2-3H.
What are the key properties of CID 88924295?
CID 88924295 has a molecular weight of 205.08 g/mol, XLogP of 0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88924295 is sourced from PubChem (CID 88924295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).