2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol;prop-2-enoic acid

C18H36O8 — CID 87252519

IUPAC2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol;prop-2-enoic acid
SMILESC=CC(=O)O.CC(O)COC(C)COC(C)COC(C)COC(C)CO
InChIInChI=1S/C15H32O6.C3H4O2/c1-11(17)7-18-13(3)9-20-15(5)10-21-14(4)8-19-12(2)6-16;1-2-3(4)5/h11-17H,6-10H2,1-5H3;2H,1H2,(H,4,5)
InChIKeyCMFYFUADLDVJIH-UHFFFAOYSA-N
MW380.48 g/mol
LogP1.24
Rot. Bonds14

About 2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol;prop-2-enoic acid

2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol;prop-2-enoic acid (PubChem CID 87252519) has the molecular formula C18H36O8 and a molecular weight of 380.48 g/mol. Its IUPAC name is 2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol;prop-2-enoic acid.

Molecular Properties

Compound Name2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol;prop-2-enoic acid
PubChem CID87252519
Molecular FormulaC18H36O8
Molecular Weight380.48 g/mol
Exact Mass380.24
IUPAC Name2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol;prop-2-enoic acid
SMILESC=CC(=O)O.CC(O)COC(C)COC(C)COC(C)COC(C)CO
InChIInChI=1S/C15H32O6.C3H4O2/c1-11(17)7-18-13(3)9-20-15(5)10-21-14(4)8-19-12(2)6-16;1-2-3(4)5/h11-17H,6-10H2,1-5H3;2H,1H2,(H,4,5)
InChIKeyCMFYFUADLDVJIH-UHFFFAOYSA-N
XLogP1.24
TPSA114.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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-hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol;prop-2-enoic acid?
The IUPAC name of 2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol;prop-2-enoic acid (CID 87252519) is 2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol;prop-2-enoic acid.
What is the SMILES notation for 2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol;prop-2-enoic acid?
The canonical SMILES for 2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol;prop-2-enoic acid is C=CC(=O)O.CC(O)COC(C)COC(C)COC(C)COC(C)CO.
What is the InChIKey of 2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol;prop-2-enoic acid?
The InChIKey is CMFYFUADLDVJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O6.C3H4O2/c1-11(17)7-18-13(3)9-20-15(5)10-21-14(4)8-19-12(2)6-16;1-2-3(4)5/h11-17H,6-10H2,1-5H3;2H,1H2,(H,4,5).
What are the key properties of 2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol;prop-2-enoic acid?
2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol;prop-2-enoic acid has a molecular weight of 380.48 g/mol, XLogP of 1.24, 14 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol;prop-2-enoic acid is sourced from PubChem (CID 87252519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).