6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-N-(6-methoxyhexyl)hexanamide;2-methylpropane

C24H49NO7 — CID 158564821

About 6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-N-(6-methoxyhexyl)hexanamide;2-methylpropane

6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-N-(6-methoxyhexyl)hexanamide;2-methylpropane (PubChem CID 158564821) has the molecular formula C24H49NO7 and a molecular weight of 463.66 g/mol. Its IUPAC name is 6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-N-(6-methoxyhexyl)hexanamide;2-methylpropane.

Molecular Properties

• Compound Name: 6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-N-(6-methoxyhexyl)hexanamide;2-methylpropane
• PubChem CID: 158564821
• Molecular Formula: C24H49NO7
• Molecular Weight: 463.66 g/mol
• Exact Mass: 463.35
• IUPAC Name: 6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-N-(6-methoxyhexyl)hexanamide;2-methylpropane
• SMILES: CC(C)C.COCCCCCCNC(=O)CCCCCOC1OC(CO)C(O)C(O)C1C
• InChI: InChI=1S/C20H39NO7.C4H10/c1-15-18(24)19(25)16(14-22)28-20(15)27-13-9-5-6-10-17(23)21-11-7-3-4-8-12-26-2;1-4(2)3/h15-16,18-20,22,24-25H,3-14H2,1-2H3,(H,21,23);4H,1-3H3
• InChIKey: HRILPFSAWNRBBM-UHFFFAOYSA-N
• XLogP: 2.62
• TPSA: 117.48 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 15
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.66
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-N-(6-methoxyhexyl)hexanamide;2-methylpropane?

The IUPAC name of 6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-N-(6-methoxyhexyl)hexanamide;2-methylpropane (CID 158564821) is 6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-N-(6-methoxyhexyl)hexanamide;2-methylpropane.

What is the SMILES notation for 6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-N-(6-methoxyhexyl)hexanamide;2-methylpropane?

The canonical SMILES for 6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-N-(6-methoxyhexyl)hexanamide;2-methylpropane is CC(C)C.COCCCCCCNC(=O)CCCCCOC1OC(CO)C(O)C(O)C1C.

What is the InChIKey of 6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-N-(6-methoxyhexyl)hexanamide;2-methylpropane?

The InChIKey is HRILPFSAWNRBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO7.C4H10/c1-15-18(24)19(25)16(14-22)28-20(15)27-13-9-5-6-10-17(23)21-11-7-3-4-8-12-26-2;1-4(2)3/h15-16,18-20,22,24-25H,3-14H2,1-2H3,(H,21,23);4H,1-3H3.

What are the key properties of 6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-N-(6-methoxyhexyl)hexanamide;2-methylpropane?

6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-N-(6-methoxyhexyl)hexanamide;2-methylpropane has a molecular weight of 463.66 g/mol, XLogP of 2.62, 15 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-N-(6-methoxyhexyl)hexanamide;2-methylpropane is sourced from PubChem (CID 158564821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).