[6-[8-[3-[[3-[(3-ethyloxiran-2-yl)methyl]oxiran-2-yl]methyl]oxiran-2-yl]octanoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 8-[3-[[3-[(3-ethyloxiran-2-yl)methyl]oxiran-2-yl]methyl]oxiran-2-yl]octanoate;[6-[8-(3-octyloxiran-2-yl)octanoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 8-(3-octyloxiran-2-yl)octanoate;[6-[8-[3-[(3-pentyloxiran-2-yl)methyl]oxiran-2-yl]octanoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 8-[3-[(3-pentyloxiran-2-yl)methyl]oxiran-2-yl]octanoate

C126H210O30 — CID 161375354

About [6-[8-[3-[[3-[(3-ethyloxiran-2-yl)methyl]oxiran-2-yl]methyl]oxiran-2-yl]octanoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 8-[3-[[3-[(3-ethyloxiran-2-yl)methyl]oxiran-2-yl]methyl]oxiran-2-yl]octanoate;[6-[8-(3-octyloxiran-2-yl)octanoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 8-(3-octyloxiran-2-yl)octanoate;[6-[8-[3-[(3-pentyloxiran-2-yl)methyl]oxiran-2-yl]octanoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 8-[3-[(3-pentyloxiran-2-yl)methyl]oxiran-2-yl]octanoate

[6-[8-[3-[[3-[(3-ethyloxiran-2-yl)methyl]oxiran-2-yl]methyl]oxiran-2-yl]octanoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 8-[3-[[3-[(3-ethyloxiran-2-yl)methyl]oxiran-2-yl]methyl]oxiran-2-yl]octanoate;[6-[8-(3-octyloxiran-2-yl)octanoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 8-(3-octyloxiran-2-yl)octanoate;[6-[8-[3-[(3-pentyloxiran-2-yl)methyl]oxiran-2-yl]octanoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 8-[3-[(3-pentyloxiran-2-yl)methyl]oxiran-2-yl]octanoate (PubChem CID 161375354) has the molecular formula C126H210O30 and a molecular weight of 2205.04 g/mol. Its IUPAC name is [6-[8-[3-[[3-[(3-ethyloxiran-2-yl)methyl]oxiran-2-yl]methyl]oxiran-2-yl]octanoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 8-[3-[[3-[(3-ethyloxiran-2-yl)methyl]oxiran-2-yl]methyl]oxiran-2-yl]octanoate;[6-[8-(3-octyloxiran-2-yl)octanoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 8-(3-octyloxiran-2-yl)octanoate;[6-[8-[3-[(3-pentyloxiran-2-yl)methyl]oxiran-2-yl]octanoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 8-[3-[(3-pentyloxiran-2-yl)methyl]oxiran-2-yl]octanoate.

Molecular Properties

• Compound Name: [6-[8-[3-[[3-[(3-ethyloxiran-2-yl)methyl]oxiran-2-yl]methyl]oxiran-2-yl]octanoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 8-[3-[[3-[(3-ethyloxiran-2-yl)methyl]oxiran-2-yl]methyl]oxiran-2-yl]octanoate;[6-[8-(3-octyloxiran-2-yl)octanoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 8-(3-octyloxiran-2-yl)octanoate;[6-[8-[3-[(3-pentyloxiran-2-yl)methyl]oxiran-2-yl]octanoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 8-[3-[(3-pentyloxiran-2-yl)methyl]oxiran-2-yl]octanoate
• PubChem CID: 161375354
• Molecular Formula: C126H210O30
• Molecular Weight: 2205.04 g/mol
• Exact Mass: 2203.49
• IUPAC Name: [6-[8-[3-[[3-[(3-ethyloxiran-2-yl)methyl]oxiran-2-yl]methyl]oxiran-2-yl]octanoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 8-[3-[[3-[(3-ethyloxiran-2-yl)methyl]oxiran-2-yl]methyl]oxiran-2-yl]octanoate;[6-[8-(3-octyloxiran-2-yl)octanoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 8-(3-octyloxiran-2-yl)octanoate;[6-[8-[3-[(3-pentyloxiran-2-yl)methyl]oxiran-2-yl]octanoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 8-[3-[(3-pentyloxiran-2-yl)methyl]oxiran-2-yl]octanoate
• SMILES: CCC1OC1CC1OC1CC1OC1CCCCCCCC(=O)OC1COC2C(OC(=O)CCCCCCCC3OC3CC3OC3CC3OC3CC)COC12.CCCCCC1OC1CC1OC1CCCCCCCC(=O)OC1COC2C(OC(=O)CCCCCCCC3OC3CC3OC3CCCCC)COC12.CCCCCCCCC1OC1CCCCCCCC(=O)OC1COC2C(OC(=O)CCCCCCCC3OC3CCCCCCCC)COC12
• InChI: InChI=1S/C42H66O12.C42H70O10.C42H74O8/c1-3-25-29(47-25)19-33-35(51-33)21-31-27(49-31)15-11-7-5-9-13-17-39(43)53-37-23-45-42-38(24-46-41(37)42)54-40(44)18-14-10-6-8-12-16-28-32(50-28)22-36-34(52-36)20-30-26(4-2)48-30;1-3-5-13-19-29-33(47-29)25-35-31(49-35)21-15-9-7-11-17-23-39(43)51-37-27-45-42-38(28-46-41(37)42)52-40(44)24-18-12-8-10-16-22-32-36(50-32)26-34-30(48-34)20-14-6-4-2;1-3-5-7-9-13-19-25-33-35(47-33)27-21-15-11-17-23-29-39(43)49-37-31-45-42-38(32-46-41(37)42)50-40(44)30-24-18-12-16-22-28-36-34(48-36)26-20-14-10-8-6-4-2/h25-38,41-42H,3-24H2,1-2H3;29-38,41-42H,3-28H2,1-2H3;33-38,41-42H,3-32H2,1-2H3
• InChIKey: VQZUIZKDHSWQPM-UHFFFAOYSA-N
• XLogP: 24.24
• TPSA: 363.54 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 90
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2205.04
LogP ≤ 5	24.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [6-[8-[3-[[3-[(3-ethyloxiran-2-yl)methyl]oxiran-2-yl]methyl]oxiran-2-yl]octanoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 8-[3-[[3-[(3-ethyloxiran-2-yl)methyl]oxiran-2-yl]methyl]oxiran-2-yl]octanoate;[6-[8-(3-octyloxiran-2-yl)octanoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 8-(3-octyloxiran-2-yl)octanoate;[6-[8-[3-[(3-pentyloxiran-2-yl)methyl]oxiran-2-yl]octanoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 8-[3-[(3-pentyloxiran-2-yl)methyl]oxiran-2-yl]octanoate?

The IUPAC name of [6-[8-[3-[[3-[(3-ethyloxiran-2-yl)methyl]oxiran-2-yl]methyl]oxiran-2-yl]octanoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 8-[3-[[3-[(3-ethyloxiran-2-yl)methyl]oxiran-2-yl]methyl]oxiran-2-yl]octanoate;[6-[8-(3-octyloxiran-2-yl)octanoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 8-(3-octyloxiran-2-yl)octanoate;[6-[8-[3-[(3-pentyloxiran-2-yl)methyl]oxiran-2-yl]octanoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 8-[3-[(3-pentyloxiran-2-yl)methyl]oxiran-2-yl]octanoate (CID 161375354) is [6-[8-[3-[[3-[(3-ethyloxiran-2-yl)methyl]oxiran-2-yl]methyl]oxiran-2-yl]octanoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 8-[3-[[3-[(3-ethyloxiran-2-yl)methyl]oxiran-2-yl]methyl]oxiran-2-yl]octanoate;[6-[8-(3-octyloxiran-2-yl)octanoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 8-(3-octyloxiran-2-yl)octanoate;[6-[8-[3-[(3-pentyloxiran-2-yl)methyl]oxiran-2-yl]octanoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 8-[3-[(3-pentyloxiran-2-yl)methyl]oxiran-2-yl]octanoate.

What is the SMILES notation for [6-[8-[3-[[3-[(3-ethyloxiran-2-yl)methyl]oxiran-2-yl]methyl]oxiran-2-yl]octanoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 8-[3-[[3-[(3-ethyloxiran-2-yl)methyl]oxiran-2-yl]methyl]oxiran-2-yl]octanoate;[6-[8-(3-octyloxiran-2-yl)octanoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 8-(3-octyloxiran-2-yl)octanoate;[6-[8-[3-[(3-pentyloxiran-2-yl)methyl]oxiran-2-yl]octanoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 8-[3-[(3-pentyloxiran-2-yl)methyl]oxiran-2-yl]octanoate?

The canonical SMILES for [6-[8-[3-[[3-[(3-ethyloxiran-2-yl)methyl]oxiran-2-yl]methyl]oxiran-2-yl]octanoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 8-[3-[[3-[(3-ethyloxiran-2-yl)methyl]oxiran-2-yl]methyl]oxiran-2-yl]octanoate;[6-[8-(3-octyloxiran-2-yl)octanoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 8-(3-octyloxiran-2-yl)octanoate;[6-[8-[3-[(3-pentyloxiran-2-yl)methyl]oxiran-2-yl]octanoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 8-[3-[(3-pentyloxiran-2-yl)methyl]oxiran-2-yl]octanoate is CCC1OC1CC1OC1CC1OC1CCCCCCCC(=O)OC1COC2C(OC(=O)CCCCCCCC3OC3CC3OC3CC3OC3CC)COC12.CCCCCC1OC1CC1OC1CCCCCCCC(=O)OC1COC2C(OC(=O)CCCCCCCC3OC3CC3OC3CCCCC)COC12.CCCCCCCCC1OC1CCCCCCCC(=O)OC1COC2C(OC(=O)CCCCCCCC3OC3CCCCCCCC)COC12.

What is the InChIKey of [6-[8-[3-[[3-[(3-ethyloxiran-2-yl)methyl]oxiran-2-yl]methyl]oxiran-2-yl]octanoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 8-[3-[[3-[(3-ethyloxiran-2-yl)methyl]oxiran-2-yl]methyl]oxiran-2-yl]octanoate;[6-[8-(3-octyloxiran-2-yl)octanoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 8-(3-octyloxiran-2-yl)octanoate;[6-[8-[3-[(3-pentyloxiran-2-yl)methyl]oxiran-2-yl]octanoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 8-[3-[(3-pentyloxiran-2-yl)methyl]oxiran-2-yl]octanoate?

The InChIKey is VQZUIZKDHSWQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H66O12.C42H70O10.C42H74O8/c1-3-25-29(47-25)19-33-35(51-33)21-31-27(49-31)15-11-7-5-9-13-17-39(43)53-37-23-45-42-38(24-46-41(37)42)54-40(44)18-14-10-6-8-12-16-28-32(50-28)22-36-34(52-36)20-30-26(4-2)48-30;1-3-5-13-19-29-33(47-29)25-35-31(49-35)21-15-9-7-11-17-23-39(43)51-37-27-45-42-38(28-46-41(37)42)52-40(44)24-18-12-8-10-16-22-32-36(50-32)26-34-30(48-34)20-14-6-4-2;1-3-5-7-9-13-19-25-33-35(47-33)27-21-15-11-17-23-29-39(43)49-37-31-45-42-38(32-46-41(37)42)50-40(44)30-24-18-12-16-22-28-36-34(48-36)26-20-14-10-8-6-4-2/h25-38,41-42H,3-24H2,1-2H3;29-38,41-42H,3-28H2,1-2H3;33-38,41-42H,3-32H2,1-2H3.

What are the key properties of [6-[8-[3-[[3-[(3-ethyloxiran-2-yl)methyl]oxiran-2-yl]methyl]oxiran-2-yl]octanoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 8-[3-[[3-[(3-ethyloxiran-2-yl)methyl]oxiran-2-yl]methyl]oxiran-2-yl]octanoate;[6-[8-(3-octyloxiran-2-yl)octanoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 8-(3-octyloxiran-2-yl)octanoate;[6-[8-[3-[(3-pentyloxiran-2-yl)methyl]oxiran-2-yl]octanoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 8-[3-[(3-pentyloxiran-2-yl)methyl]oxiran-2-yl]octanoate?

[6-[8-[3-[[3-[(3-ethyloxiran-2-yl)methyl]oxiran-2-yl]methyl]oxiran-2-yl]octanoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 8-[3-[[3-[(3-ethyloxiran-2-yl)methyl]oxiran-2-yl]methyl]oxiran-2-yl]octanoate;[6-[8-(3-octyloxiran-2-yl)octanoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 8-(3-octyloxiran-2-yl)octanoate;[6-[8-[3-[(3-pentyloxiran-2-yl)methyl]oxiran-2-yl]octanoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 8-[3-[(3-pentyloxiran-2-yl)methyl]oxiran-2-yl]octanoate has a molecular weight of 2205.04 g/mol, XLogP of 24.24, 90 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[8-[3-[[3-[(3-ethyloxiran-2-yl)methyl]oxiran-2-yl]methyl]oxiran-2-yl]octanoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 8-[3-[[3-[(3-ethyloxiran-2-yl)methyl]oxiran-2-yl]methyl]oxiran-2-yl]octanoate;[6-[8-(3-octyloxiran-2-yl)octanoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 8-(3-octyloxiran-2-yl)octanoate;[6-[8-[3-[(3-pentyloxiran-2-yl)methyl]oxiran-2-yl]octanoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 8-[3-[(3-pentyloxiran-2-yl)methyl]oxiran-2-yl]octanoate is sourced from PubChem (CID 161375354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).