CID 123193626

C16H24BNO6 — CID 123193626

IUPAC—
SMILES[B]C(=O)CCC(C)(C)OCCC(C)(C)C(=O)On1c(O)ccc1O
InChIInChI=1S/C16H24BNO6/c1-15(2,9-10-23-16(3,4)8-7-11(17)19)14(22)24-18-12(20)5-6-13(18)21/h5-6,20-21H,7-10H2,1-4H3
InChIKeyAESKCUXAKXBAIX-UHFFFAOYSA-N
MW337.18 g/mol
LogP1.54
Rot. Bonds9

About CID 123193626

CID 123193626 (PubChem CID 123193626) has the molecular formula C16H24BNO6 and a molecular weight of 337.18 g/mol.

Molecular Properties

Compound NameCID 123193626
PubChem CID123193626
Molecular FormulaC16H24BNO6
Molecular Weight337.18 g/mol
Exact Mass337.17
IUPAC Name—
SMILES[B]C(=O)CCC(C)(C)OCCC(C)(C)C(=O)On1c(O)ccc1O
InChIInChI=1S/C16H24BNO6/c1-15(2,9-10-23-16(3,4)8-7-11(17)19)14(22)24-18-12(20)5-6-13(18)21/h5-6,20-21H,7-10H2,1-4H3
InChIKeyAESKCUXAKXBAIX-UHFFFAOYSA-N
XLogP1.54
TPSA97.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.18
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze CID 123193626 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 123193626?
The IUPAC name of CID 123193626 (CID 123193626) is not available.
What is the SMILES notation for CID 123193626?
The canonical SMILES for CID 123193626 is [B]C(=O)CCC(C)(C)OCCC(C)(C)C(=O)On1c(O)ccc1O.
What is the InChIKey of CID 123193626?
The InChIKey is AESKCUXAKXBAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BNO6/c1-15(2,9-10-23-16(3,4)8-7-11(17)19)14(22)24-18-12(20)5-6-13(18)21/h5-6,20-21H,7-10H2,1-4H3.
What are the key properties of CID 123193626?
CID 123193626 has a molecular weight of 337.18 g/mol, XLogP of 1.54, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123193626 is sourced from PubChem (CID 123193626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).