CID 174153173

C13H24BNO4 — CID 174153173

IUPAC—
SMILES[B][C@@H]1O[C@]2(COC(C)C)CN(C)O[C@H]1C2OC(C)C
InChIInChI=1S/C13H24BNO4/c1-8(2)16-7-13-6-15(5)19-10(12(14)18-13)11(13)17-9(3)4/h8-12H,6-7H2,1-5H3/t10-,11?,12+,13-/m0/s1
InChIKeyRJBYMWKYTKEZEC-USLXRJLDSA-N
MW269.15 g/mol
LogP0.71
Rot. Bonds5

About CID 174153173

CID 174153173 (PubChem CID 174153173) has the molecular formula C13H24BNO4 and a molecular weight of 269.15 g/mol.

Molecular Properties

Compound NameCID 174153173
PubChem CID174153173
Molecular FormulaC13H24BNO4
Molecular Weight269.15 g/mol
Exact Mass269.18
IUPAC Name—
SMILES[B][C@@H]1O[C@]2(COC(C)C)CN(C)O[C@H]1C2OC(C)C
InChIInChI=1S/C13H24BNO4/c1-8(2)16-7-13-6-15(5)19-10(12(14)18-13)11(13)17-9(3)4/h8-12H,6-7H2,1-5H3/t10-,11?,12+,13-/m0/s1
InChIKeyRJBYMWKYTKEZEC-USLXRJLDSA-N
XLogP0.71
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.15
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 174153173?
The IUPAC name of CID 174153173 (CID 174153173) is not available.
What is the SMILES notation for CID 174153173?
The canonical SMILES for CID 174153173 is [B][C@@H]1O[C@]2(COC(C)C)CN(C)O[C@H]1C2OC(C)C.
What is the InChIKey of CID 174153173?
The InChIKey is RJBYMWKYTKEZEC-USLXRJLDSA-N. The full InChI is InChI=1S/C13H24BNO4/c1-8(2)16-7-13-6-15(5)19-10(12(14)18-13)11(13)17-9(3)4/h8-12H,6-7H2,1-5H3/t10-,11?,12+,13-/m0/s1.
What are the key properties of CID 174153173?
CID 174153173 has a molecular weight of 269.15 g/mol, XLogP of 0.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174153173 is sourced from PubChem (CID 174153173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).