2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(2-methylprop-2-enoic acid)

C35H70O18 — CID 173326767

IUPAC2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.CC(O)COC(C)COC(C)CO.OCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChIInChI=1S/C18H38O10.C9H20O4.2C4H6O2/c19-1-3-21-5-7-23-9-11-25-13-15-27-17-18-28-16-14-26-12-10-24-8-6-22-4-2-20;1-7(11)5-12-9(3)6-13-8(2)4-10;2*1-3(2)4(5)6/h19-20H,1-18H2;7-11H,4-6H2,1-3H3;2*1H2,2H3,(H,5,6)
InChIKeyVCZTXIRJTGGRJL-UHFFFAOYSA-N
MW778.93 g/mol
LogP0.57
Rot. Bonds34

About 2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(2-methylprop-2-enoic acid)

2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(2-methylprop-2-enoic acid) (PubChem CID 173326767) has the molecular formula C35H70O18 and a molecular weight of 778.93 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(2-methylprop-2-enoic acid).

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(2-methylprop-2-enoic acid)
PubChem CID173326767
Molecular FormulaC35H70O18
Molecular Weight778.93 g/mol
Exact Mass778.46
IUPAC Name2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.CC(O)COC(C)COC(C)CO.OCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChIInChI=1S/C18H38O10.C9H20O4.2C4H6O2/c19-1-3-21-5-7-23-9-11-25-13-15-27-17-18-28-16-14-26-12-10-24-8-6-22-4-2-20;1-7(11)5-12-9(3)6-13-8(2)4-10;2*1-3(2)4(5)6/h19-20H,1-18H2;7-11H,4-6H2,1-3H3;2*1H2,2H3,(H,5,6)
InChIKeyVCZTXIRJTGGRJL-UHFFFAOYSA-N
XLogP0.57
TPSA247.82 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds34
Heavy Atoms53
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500778.93
LogP ≤ 50.57
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(2-methylprop-2-enoic acid)?
The IUPAC name of 2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(2-methylprop-2-enoic acid) (CID 173326767) is 2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(2-methylprop-2-enoic acid).
What is the SMILES notation for 2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(2-methylprop-2-enoic acid)?
The canonical SMILES for 2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(2-methylprop-2-enoic acid) is C=C(C)C(=O)O.C=C(C)C(=O)O.CC(O)COC(C)COC(C)CO.OCCOCCOCCOCCOCCOCCOCCOCCOCCO.
What is the InChIKey of 2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(2-methylprop-2-enoic acid)?
The InChIKey is VCZTXIRJTGGRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O10.C9H20O4.2C4H6O2/c19-1-3-21-5-7-23-9-11-25-13-15-27-17-18-28-16-14-26-12-10-24-8-6-22-4-2-20;1-7(11)5-12-9(3)6-13-8(2)4-10;2*1-3(2)4(5)6/h19-20H,1-18H2;7-11H,4-6H2,1-3H3;2*1H2,2H3,(H,5,6).
What are the key properties of 2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(2-methylprop-2-enoic acid)?
2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(2-methylprop-2-enoic acid) has a molecular weight of 778.93 g/mol, XLogP of 0.57, 34 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(2-methylprop-2-enoic acid) is sourced from PubChem (CID 173326767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).