CID 88953672

C15H28BNO7 — CID 88953672

About CID 88953672

CID 88953672 (PubChem CID 88953672) has the molecular formula C15H28BNO7 and a molecular weight of 345.20 g/mol.

Molecular Properties

• Compound Name: CID 88953672
• PubChem CID: 88953672
• Molecular Formula: C15H28BNO7
• Molecular Weight: 345.20 g/mol
• Exact Mass: 345.20
• IUPAC Name: —
• SMILES: [B]CC(=O)N(C)CCOCCOCCOCCOCCC(=O)OC
• InChI: InChI=1S/C15H28BNO7/c1-17(14(18)13-16)4-6-22-8-10-24-12-11-23-9-7-21-5-3-15(19)20-2/h3-13H2,1-2H3
• InChIKey: BIORSUHRQRVSCJ-UHFFFAOYSA-N
• XLogP: -0.34
• TPSA: 83.53 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 16
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.20
LogP ≤ 5	-0.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 88953672?

The IUPAC name of CID 88953672 (CID 88953672) is not available.

What is the SMILES notation for CID 88953672?

The canonical SMILES for CID 88953672 is [B]CC(=O)N(C)CCOCCOCCOCCOCCC(=O)OC.

What is the InChIKey of CID 88953672?

The InChIKey is BIORSUHRQRVSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28BNO7/c1-17(14(18)13-16)4-6-22-8-10-24-12-11-23-9-7-21-5-3-15(19)20-2/h3-13H2,1-2H3.

What are the key properties of CID 88953672?

CID 88953672 has a molecular weight of 345.20 g/mol, XLogP of -0.34, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for CID 88953672 is sourced from PubChem (CID 88953672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).