ethane-1,2-diol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-1-ene)

C17H38O6 — CID 173215774

About ethane-1,2-diol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-1-ene)

ethane-1,2-diol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-1-ene) (PubChem CID 173215774) has the molecular formula C17H38O6 and a molecular weight of 338.49 g/mol. Its IUPAC name is ethane-1,2-diol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-1-ene).

Molecular Properties

• Compound Name: ethane-1,2-diol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-1-ene)
• PubChem CID: 173215774
• Molecular Formula: C17H38O6
• Molecular Weight: 338.49 g/mol
• Exact Mass: 338.27
• IUPAC Name: ethane-1,2-diol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-1-ene)
• SMILES: C=CC.C=CC.CC(O)COC(C)COC(C)CO.OCCO
• InChI: InChI=1S/C9H20O4.2C3H6.C2H6O2/c1-7(11)5-12-9(3)6-13-8(2)4-10;2*1-3-2;3-1-2-4/h7-11H,4-6H2,1-3H3;2*3H,1H2,2H3;3-4H,1-2H2
• InChIKey: ADHIHWUHVDGXKG-UHFFFAOYSA-N
• XLogP: 1.53
• TPSA: 99.38 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.49
LogP ≤ 5	1.53
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-1-ene)?

The IUPAC name of ethane-1,2-diol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-1-ene) (CID 173215774) is ethane-1,2-diol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-1-ene).

What is the SMILES notation for ethane-1,2-diol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-1-ene)?

The canonical SMILES for ethane-1,2-diol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-1-ene) is C=CC.C=CC.CC(O)COC(C)COC(C)CO.OCCO.

What is the InChIKey of ethane-1,2-diol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-1-ene)?

The InChIKey is ADHIHWUHVDGXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O4.2C3H6.C2H6O2/c1-7(11)5-12-9(3)6-13-8(2)4-10;2*1-3-2;3-1-2-4/h7-11H,4-6H2,1-3H3;2*3H,1H2,2H3;3-4H,1-2H2.

What are the key properties of ethane-1,2-diol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-1-ene)?

ethane-1,2-diol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-1-ene) has a molecular weight of 338.49 g/mol, XLogP of 1.53, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethane-1,2-diol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-1-ene) is sourced from PubChem (CID 173215774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).