CID 174365731

C8H15BO7 — CID 174365731

IUPAC—
SMILES[B]C1(C)CC(O)(O)C(O)(O)C(C)(O)C1(O)O
InChIInChI=1S/C8H15BO7/c1-4(9)3-6(11,12)8(15,16)5(2,10)7(4,13)14/h10-16H,3H2,1-2H3
InChIKeyUMORCCURGCCFOM-UHFFFAOYSA-N
MW234.01 g/mol
LogP-3.47
Rot. Bonds

About CID 174365731

CID 174365731 (PubChem CID 174365731) has the molecular formula C8H15BO7 and a molecular weight of 234.01 g/mol.

Molecular Properties

Compound NameCID 174365731
PubChem CID174365731
Molecular FormulaC8H15BO7
Molecular Weight234.01 g/mol
Exact Mass234.09
IUPAC Name—
SMILES[B]C1(C)CC(O)(O)C(O)(O)C(C)(O)C1(O)O
InChIInChI=1S/C8H15BO7/c1-4(9)3-6(11,12)8(15,16)5(2,10)7(4,13)14/h10-16H,3H2,1-2H3
InChIKeyUMORCCURGCCFOM-UHFFFAOYSA-N
XLogP-3.47
TPSA141.61 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.01
LogP ≤ 5-3.47
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 174365731?
The IUPAC name of CID 174365731 (CID 174365731) is not available.
What is the SMILES notation for CID 174365731?
The canonical SMILES for CID 174365731 is [B]C1(C)CC(O)(O)C(O)(O)C(C)(O)C1(O)O.
What is the InChIKey of CID 174365731?
The InChIKey is UMORCCURGCCFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BO7/c1-4(9)3-6(11,12)8(15,16)5(2,10)7(4,13)14/h10-16H,3H2,1-2H3.
What are the key properties of CID 174365731?
CID 174365731 has a molecular weight of 234.01 g/mol, XLogP of -3.47, 0 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174365731 is sourced from PubChem (CID 174365731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).