[3-[[3,5-bis[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]phenyl]methoxy]-5-[[3,4,5-tris[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]phenyl]methoxy]phenyl]methanol

C80H138O27 — CID 89084248

About [3-[[3,5-bis[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]phenyl]methoxy]-5-[[3,4,5-tris[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]phenyl]methoxy]phenyl]methanol

[3-[[3,5-bis[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]phenyl]methoxy]-5-[[3,4,5-tris[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]phenyl]methoxy]phenyl]methanol (PubChem CID 89084248) has the molecular formula C80H138O27 and a molecular weight of 1531.96 g/mol. Its IUPAC name is [3-[[3,5-bis[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]phenyl]methoxy]-5-[[3,4,5-tris[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]phenyl]methoxy]phenyl]methanol.

Molecular Properties

• Compound Name: [3-[[3,5-bis[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]phenyl]methoxy]-5-[[3,4,5-tris[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]phenyl]methoxy]phenyl]methanol
• PubChem CID: 89084248
• Molecular Formula: C80H138O27
• Molecular Weight: 1531.96 g/mol
• Exact Mass: 1530.94
• IUPAC Name: [3-[[3,5-bis[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]phenyl]methoxy]-5-[[3,4,5-tris[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]phenyl]methoxy]phenyl]methanol
• SMILES: CC(C)OCCOCCOCCOc1c(OCCOCCOCCOC(C)(C)C)cc(COc2cc(CO)cc(OCc3cc(OCCOCCOCCOC(C)(C)C)c(OCCOCCOCCOC(C)(C)C)c(OCCOCCOCCOC(C)(C)C)c3)c2)cc1OCCOCCOCCOC(C)(C)C
• InChI: InChI=1S/C80H138O27/c1-64(2)94-42-30-82-18-19-87-35-47-99-74-70(95-43-31-83-20-25-89-37-49-103-76(3,4)5)56-66(57-71(74)96-44-32-84-21-26-90-38-50-104-77(6,7)8)62-101-68-54-65(61-81)55-69(60-68)102-63-67-58-72(97-45-33-85-22-27-91-39-51-105-78(9,10)11)75(100-48-36-88-24-29-93-41-53-107-80(15,16)17)73(59-67)98-46-34-86-23-28-92-40-52-106-79(12,13)14/h54-60,64,81H,18-53,61-63H2,1-17H3
• InChIKey: LUMKKYJYTOBQKQ-UHFFFAOYSA-N
• XLogP: 11.31
• TPSA: 260.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 27
• Rotatable Bonds: 68
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1531.96
LogP ≤ 5	11.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-[[3,5-bis[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]phenyl]methoxy]-5-[[3,4,5-tris[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]phenyl]methoxy]phenyl]methanol?

The IUPAC name of [3-[[3,5-bis[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]phenyl]methoxy]-5-[[3,4,5-tris[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]phenyl]methoxy]phenyl]methanol (CID 89084248) is [3-[[3,5-bis[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]phenyl]methoxy]-5-[[3,4,5-tris[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]phenyl]methoxy]phenyl]methanol.

What is the SMILES notation for [3-[[3,5-bis[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]phenyl]methoxy]-5-[[3,4,5-tris[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]phenyl]methoxy]phenyl]methanol?

The canonical SMILES for [3-[[3,5-bis[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]phenyl]methoxy]-5-[[3,4,5-tris[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]phenyl]methoxy]phenyl]methanol is CC(C)OCCOCCOCCOc1c(OCCOCCOCCOC(C)(C)C)cc(COc2cc(CO)cc(OCc3cc(OCCOCCOCCOC(C)(C)C)c(OCCOCCOCCOC(C)(C)C)c(OCCOCCOCCOC(C)(C)C)c3)c2)cc1OCCOCCOCCOC(C)(C)C.

What is the InChIKey of [3-[[3,5-bis[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]phenyl]methoxy]-5-[[3,4,5-tris[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]phenyl]methoxy]phenyl]methanol?

The InChIKey is LUMKKYJYTOBQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H138O27/c1-64(2)94-42-30-82-18-19-87-35-47-99-74-70(95-43-31-83-20-25-89-37-49-103-76(3,4)5)56-66(57-71(74)96-44-32-84-21-26-90-38-50-104-77(6,7)8)62-101-68-54-65(61-81)55-69(60-68)102-63-67-58-72(97-45-33-85-22-27-91-39-51-105-78(9,10)11)75(100-48-36-88-24-29-93-41-53-107-80(15,16)17)73(59-67)98-46-34-86-23-28-92-40-52-106-79(12,13)14/h54-60,64,81H,18-53,61-63H2,1-17H3.

What are the key properties of [3-[[3,5-bis[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]phenyl]methoxy]-5-[[3,4,5-tris[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]phenyl]methoxy]phenyl]methanol?

[3-[[3,5-bis[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]phenyl]methoxy]-5-[[3,4,5-tris[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]phenyl]methoxy]phenyl]methanol has a molecular weight of 1531.96 g/mol, XLogP of 11.31, 68 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[[3,5-bis[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]phenyl]methoxy]-5-[[3,4,5-tris[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]phenyl]methoxy]phenyl]methanol is sourced from PubChem (CID 89084248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).