CID 166022973

C18H29NO9 — CID 166022973

About CID 166022973

CID 166022973 (PubChem CID 166022973) has the molecular formula C18H29NO9 and a molecular weight of 403.43 g/mol.

Molecular Properties

• Compound Name: CID 166022973
• PubChem CID: 166022973
• Molecular Formula: C18H29NO9
• Molecular Weight: 403.43 g/mol
• Exact Mass: 403.18
• IUPAC Name: —
• SMILES: [CH]CCOCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
• InChI: InChI=1S/C18H29NO9/c1-2-6-23-8-10-25-12-14-27-15-13-26-11-9-24-7-5-18(22)28-19-16(20)3-4-17(19)21/h1H,2-15H2
• InChIKey: XWMNFINIPGJCIO-UHFFFAOYSA-N
• XLogP: 0.17
• TPSA: 109.83 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 18
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.43
LogP ≤ 5	0.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 166022973?

The IUPAC name of CID 166022973 (CID 166022973) is not available.

What is the SMILES notation for CID 166022973?

The canonical SMILES for CID 166022973 is [CH]CCOCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O.

What is the InChIKey of CID 166022973?

The InChIKey is XWMNFINIPGJCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO9/c1-2-6-23-8-10-25-12-14-27-15-13-26-11-9-24-7-5-18(22)28-19-16(20)3-4-17(19)21/h1H,2-15H2.

What are the key properties of CID 166022973?

CID 166022973 has a molecular weight of 403.43 g/mol, XLogP of 0.17, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for CID 166022973 is sourced from PubChem (CID 166022973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).