1-hexoxy-1-[1-hexoxy-15,15-di(nonoxy)pentadec-2-enoxy]-15,15-di(nonoxy)pentadec-2-ene

C78H154O7 — CID 163287991

About 1-hexoxy-1-[1-hexoxy-15,15-di(nonoxy)pentadec-2-enoxy]-15,15-di(nonoxy)pentadec-2-ene

1-hexoxy-1-[1-hexoxy-15,15-di(nonoxy)pentadec-2-enoxy]-15,15-di(nonoxy)pentadec-2-ene (PubChem CID 163287991) has the molecular formula C78H154O7 and a molecular weight of 1204.08 g/mol. Its IUPAC name is 1-hexoxy-1-[1-hexoxy-15,15-di(nonoxy)pentadec-2-enoxy]-15,15-di(nonoxy)pentadec-2-ene.

Molecular Properties

• Compound Name: 1-hexoxy-1-[1-hexoxy-15,15-di(nonoxy)pentadec-2-enoxy]-15,15-di(nonoxy)pentadec-2-ene
• PubChem CID: 163287991
• Molecular Formula: C78H154O7
• Molecular Weight: 1204.08 g/mol
• Exact Mass: 1203.17
• IUPAC Name: 1-hexoxy-1-[1-hexoxy-15,15-di(nonoxy)pentadec-2-enoxy]-15,15-di(nonoxy)pentadec-2-ene
• SMILES: CCCCCCCCCOC(CCCCCCCCCCCC=CC(OCCCCCC)OC(C=CCCCCCCCCCCCC(OCCCCCCCCC)OCCCCCCCCC)OCCCCCC)OCCCCCCCCC
• InChI: InChI=1S/C78H154O7/c1-7-13-19-25-43-51-61-69-79-75(80-70-62-52-44-26-20-14-8-2)65-55-47-39-35-31-29-33-37-41-49-57-67-77(83-73-59-23-17-11-5)85-78(84-74-60-24-18-12-6)68-58-50-42-38-34-30-32-36-40-48-56-66-76(81-71-63-53-45-27-21-15-9-3)82-72-64-54-46-28-22-16-10-4/h57-58,67-68,75-78H,7-56,59-66,69-74H2,1-6H3
• InChIKey: IZIHCILYZPNVLB-UHFFFAOYSA-N
• XLogP: 26.26
• TPSA: 64.61 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 76
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1204.08
LogP ≤ 5	26.26
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-hexoxy-1-[1-hexoxy-15,15-di(nonoxy)pentadec-2-enoxy]-15,15-di(nonoxy)pentadec-2-ene?

The IUPAC name of 1-hexoxy-1-[1-hexoxy-15,15-di(nonoxy)pentadec-2-enoxy]-15,15-di(nonoxy)pentadec-2-ene (CID 163287991) is 1-hexoxy-1-[1-hexoxy-15,15-di(nonoxy)pentadec-2-enoxy]-15,15-di(nonoxy)pentadec-2-ene.

What is the SMILES notation for 1-hexoxy-1-[1-hexoxy-15,15-di(nonoxy)pentadec-2-enoxy]-15,15-di(nonoxy)pentadec-2-ene?

The canonical SMILES for 1-hexoxy-1-[1-hexoxy-15,15-di(nonoxy)pentadec-2-enoxy]-15,15-di(nonoxy)pentadec-2-ene is CCCCCCCCCOC(CCCCCCCCCCCC=CC(OCCCCCC)OC(C=CCCCCCCCCCCCC(OCCCCCCCCC)OCCCCCCCCC)OCCCCCC)OCCCCCCCCC.

What is the InChIKey of 1-hexoxy-1-[1-hexoxy-15,15-di(nonoxy)pentadec-2-enoxy]-15,15-di(nonoxy)pentadec-2-ene?

The InChIKey is IZIHCILYZPNVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H154O7/c1-7-13-19-25-43-51-61-69-79-75(80-70-62-52-44-26-20-14-8-2)65-55-47-39-35-31-29-33-37-41-49-57-67-77(83-73-59-23-17-11-5)85-78(84-74-60-24-18-12-6)68-58-50-42-38-34-30-32-36-40-48-56-66-76(81-71-63-53-45-27-21-15-9-3)82-72-64-54-46-28-22-16-10-4/h57-58,67-68,75-78H,7-56,59-66,69-74H2,1-6H3.

What are the key properties of 1-hexoxy-1-[1-hexoxy-15,15-di(nonoxy)pentadec-2-enoxy]-15,15-di(nonoxy)pentadec-2-ene?

1-hexoxy-1-[1-hexoxy-15,15-di(nonoxy)pentadec-2-enoxy]-15,15-di(nonoxy)pentadec-2-ene has a molecular weight of 1204.08 g/mol, XLogP of 26.26, 76 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-hexoxy-1-[1-hexoxy-15,15-di(nonoxy)pentadec-2-enoxy]-15,15-di(nonoxy)pentadec-2-ene is sourced from PubChem (CID 163287991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).