10-(2-hydroxyethoxy)-1-(2-hydroxyethylperoxy)-6-methyldecan-5-ol

C15H32O6 — CID 175252048

About 10-(2-hydroxyethoxy)-1-(2-hydroxyethylperoxy)-6-methyldecan-5-ol

10-(2-hydroxyethoxy)-1-(2-hydroxyethylperoxy)-6-methyldecan-5-ol (PubChem CID 175252048) has the molecular formula C15H32O6 and a molecular weight of 308.42 g/mol. Its IUPAC name is 10-(2-hydroxyethoxy)-1-(2-hydroxyethylperoxy)-6-methyldecan-5-ol.

Molecular Properties

• Compound Name: 10-(2-hydroxyethoxy)-1-(2-hydroxyethylperoxy)-6-methyldecan-5-ol
• PubChem CID: 175252048
• Molecular Formula: C15H32O6
• Molecular Weight: 308.42 g/mol
• Exact Mass: 308.22
• IUPAC Name: 10-(2-hydroxyethoxy)-1-(2-hydroxyethylperoxy)-6-methyldecan-5-ol
• SMILES: CC(CCCCOCCO)C(O)CCCCOOCCO
• InChI: InChI=1S/C15H32O6/c1-14(6-2-4-10-19-12-8-16)15(18)7-3-5-11-20-21-13-9-17/h14-18H,2-13H2,1H3
• InChIKey: UKIIQFLKLFNQNS-UHFFFAOYSA-N
• XLogP: 1.27
• TPSA: 88.38 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 16
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	308.42
LogP ≤ 5	1.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10-(2-hydroxyethoxy)-1-(2-hydroxyethylperoxy)-6-methyldecan-5-ol?

The IUPAC name of 10-(2-hydroxyethoxy)-1-(2-hydroxyethylperoxy)-6-methyldecan-5-ol (CID 175252048) is 10-(2-hydroxyethoxy)-1-(2-hydroxyethylperoxy)-6-methyldecan-5-ol.

What is the SMILES notation for 10-(2-hydroxyethoxy)-1-(2-hydroxyethylperoxy)-6-methyldecan-5-ol?

The canonical SMILES for 10-(2-hydroxyethoxy)-1-(2-hydroxyethylperoxy)-6-methyldecan-5-ol is CC(CCCCOCCO)C(O)CCCCOOCCO.

What is the InChIKey of 10-(2-hydroxyethoxy)-1-(2-hydroxyethylperoxy)-6-methyldecan-5-ol?

The InChIKey is UKIIQFLKLFNQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O6/c1-14(6-2-4-10-19-12-8-16)15(18)7-3-5-11-20-21-13-9-17/h14-18H,2-13H2,1H3.

What are the key properties of 10-(2-hydroxyethoxy)-1-(2-hydroxyethylperoxy)-6-methyldecan-5-ol?

10-(2-hydroxyethoxy)-1-(2-hydroxyethylperoxy)-6-methyldecan-5-ol has a molecular weight of 308.42 g/mol, XLogP of 1.27, 16 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(2-hydroxyethoxy)-1-(2-hydroxyethylperoxy)-6-methyldecan-5-ol is sourced from PubChem (CID 175252048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).