CID 20741832

C8H15BO4 — CID 20741832

IUPAC—
SMILES[B]C1OC(COC)C(OC)C1OC
InChIInChI=1S/C8H15BO4/c1-10-4-5-6(11-2)7(12-3)8(9)13-5/h5-8H,4H2,1-3H3
InChIKeyTUDVKMARPYQCSC-UHFFFAOYSA-N
MW186.02 g/mol
LogP-0.44
Rot. Bonds4

About CID 20741832

CID 20741832 (PubChem CID 20741832) has the molecular formula C8H15BO4 and a molecular weight of 186.02 g/mol.

Molecular Properties

Compound NameCID 20741832
PubChem CID20741832
Molecular FormulaC8H15BO4
Molecular Weight186.02 g/mol
Exact Mass186.11
IUPAC Name—
SMILES[B]C1OC(COC)C(OC)C1OC
InChIInChI=1S/C8H15BO4/c1-10-4-5-6(11-2)7(12-3)8(9)13-5/h5-8H,4H2,1-3H3
InChIKeyTUDVKMARPYQCSC-UHFFFAOYSA-N
XLogP-0.44
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.02
LogP ≤ 5-0.44
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 20741832?
The IUPAC name of CID 20741832 (CID 20741832) is not available.
What is the SMILES notation for CID 20741832?
The canonical SMILES for CID 20741832 is [B]C1OC(COC)C(OC)C1OC.
What is the InChIKey of CID 20741832?
The InChIKey is TUDVKMARPYQCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BO4/c1-10-4-5-6(11-2)7(12-3)8(9)13-5/h5-8H,4H2,1-3H3.
What are the key properties of CID 20741832?
CID 20741832 has a molecular weight of 186.02 g/mol, XLogP of -0.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20741832 is sourced from PubChem (CID 20741832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).