CID 87153274

C13H25BO6 — CID 87153274

IUPAC—
SMILES[B][C@@H]1O[C@H](COC)C(OC)[C@@H]1OCC(COC)COC
InChIInChI=1S/C13H25BO6/c1-15-5-9(6-16-2)7-19-12-11(18-4)10(8-17-3)20-13(12)14/h9-13H,5-8H2,1-4H3/t10-,11?,12+,13-/m1/s1
InChIKeyXMYNVASHIONWPO-IBSWDFHHSA-N
MW288.15 g/mol
LogP-0.16
Rot. Bonds10

About CID 87153274

CID 87153274 (PubChem CID 87153274) has the molecular formula C13H25BO6 and a molecular weight of 288.15 g/mol.

Molecular Properties

Compound NameCID 87153274
PubChem CID87153274
Molecular FormulaC13H25BO6
Molecular Weight288.15 g/mol
Exact Mass288.17
IUPAC Name—
SMILES[B][C@@H]1O[C@H](COC)C(OC)[C@@H]1OCC(COC)COC
InChIInChI=1S/C13H25BO6/c1-15-5-9(6-16-2)7-19-12-11(18-4)10(8-17-3)20-13(12)14/h9-13H,5-8H2,1-4H3/t10-,11?,12+,13-/m1/s1
InChIKeyXMYNVASHIONWPO-IBSWDFHHSA-N
XLogP-0.16
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.15
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 87153274?
The IUPAC name of CID 87153274 (CID 87153274) is not available.
What is the SMILES notation for CID 87153274?
The canonical SMILES for CID 87153274 is [B][C@@H]1O[C@H](COC)C(OC)[C@@H]1OCC(COC)COC.
What is the InChIKey of CID 87153274?
The InChIKey is XMYNVASHIONWPO-IBSWDFHHSA-N. The full InChI is InChI=1S/C13H25BO6/c1-15-5-9(6-16-2)7-19-12-11(18-4)10(8-17-3)20-13(12)14/h9-13H,5-8H2,1-4H3/t10-,11?,12+,13-/m1/s1.
What are the key properties of CID 87153274?
CID 87153274 has a molecular weight of 288.15 g/mol, XLogP of -0.16, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87153274 is sourced from PubChem (CID 87153274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).