ethane;2-[3-[2-hydroxy-1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl]phenyl]-1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-ol

C34H64O10 — CID 156647402

About ethane;2-[3-[2-hydroxy-1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl]phenyl]-1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-ol

ethane;2-[3-[2-hydroxy-1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl]phenyl]-1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-ol (PubChem CID 156647402) has the molecular formula C34H64O10 and a molecular weight of 632.88 g/mol. Its IUPAC name is ethane;2-[3-[2-hydroxy-1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl]phenyl]-1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-ol.

Molecular Properties

• Compound Name: ethane;2-[3-[2-hydroxy-1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl]phenyl]-1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-ol
• PubChem CID: 156647402
• Molecular Formula: C34H64O10
• Molecular Weight: 632.88 g/mol
• Exact Mass: 632.45
• IUPAC Name: ethane;2-[3-[2-hydroxy-1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl]phenyl]-1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-ol
• SMILES: CC.COCC(C)OCC(C)OCC(C)OCC(C)(O)c1cccc(C(C)(O)COC(C)COC(C)COC(C)COC)c1
• InChI: InChI=1S/C32H58O10.C2H6/c1-23(15-35-9)37-17-25(3)39-19-27(5)41-21-31(7,33)29-12-11-13-30(14-29)32(8,34)22-42-28(6)20-40-26(4)18-38-24(2)16-36-10;1-2/h11-14,23-28,33-34H,15-22H2,1-10H3;1-2H3
• InChIKey: JQADKQWOFNBGLA-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 114.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 24
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	632.88
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of ethane;2-[3-[2-hydroxy-1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl]phenyl]-1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-ol?

The IUPAC name of ethane;2-[3-[2-hydroxy-1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl]phenyl]-1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-ol (CID 156647402) is ethane;2-[3-[2-hydroxy-1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl]phenyl]-1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-ol.

What is the SMILES notation for ethane;2-[3-[2-hydroxy-1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl]phenyl]-1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-ol?

The canonical SMILES for ethane;2-[3-[2-hydroxy-1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl]phenyl]-1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-ol is CC.COCC(C)OCC(C)OCC(C)OCC(C)(O)c1cccc(C(C)(O)COC(C)COC(C)COC(C)COC)c1.

What is the InChIKey of ethane;2-[3-[2-hydroxy-1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl]phenyl]-1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-ol?

The InChIKey is JQADKQWOFNBGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H58O10.C2H6/c1-23(15-35-9)37-17-25(3)39-19-27(5)41-21-31(7,33)29-12-11-13-30(14-29)32(8,34)22-42-28(6)20-40-26(4)18-38-24(2)16-36-10;1-2/h11-14,23-28,33-34H,15-22H2,1-10H3;1-2H3.

What are the key properties of ethane;2-[3-[2-hydroxy-1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl]phenyl]-1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-ol?

ethane;2-[3-[2-hydroxy-1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl]phenyl]-1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-ol has a molecular weight of 632.88 g/mol, XLogP of 4.85, 24 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;2-[3-[2-hydroxy-1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl]phenyl]-1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-ol is sourced from PubChem (CID 156647402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).