2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propan-1-ol;2-[2-(2-methoxyethoxy)ethoxy]ethanol

C19H42O9 — CID 87899229

IUPAC2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propan-1-ol;2-[2-(2-methoxyethoxy)ethoxy]ethanol
SMILESCC(O)COC(C)COC(C)COC(C)CO.COCCOCCOCCO
InChIInChI=1S/C12H26O5.C7H16O4/c1-9(14)6-15-11(3)8-17-12(4)7-16-10(2)5-13;1-9-4-5-11-7-6-10-3-2-8/h9-14H,5-8H2,1-4H3;8H,2-7H2,1H3
InChIKeyFWDOADZFDGUZEG-UHFFFAOYSA-N
MW414.54 g/mol
LogP0.23
Rot. Bonds18

About 2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propan-1-ol;2-[2-(2-methoxyethoxy)ethoxy]ethanol

2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propan-1-ol;2-[2-(2-methoxyethoxy)ethoxy]ethanol (PubChem CID 87899229) has the molecular formula C19H42O9 and a molecular weight of 414.54 g/mol. Its IUPAC name is 2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propan-1-ol;2-[2-(2-methoxyethoxy)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propan-1-ol;2-[2-(2-methoxyethoxy)ethoxy]ethanol
PubChem CID87899229
Molecular FormulaC19H42O9
Molecular Weight414.54 g/mol
Exact Mass414.28
IUPAC Name2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propan-1-ol;2-[2-(2-methoxyethoxy)ethoxy]ethanol
SMILESCC(O)COC(C)COC(C)COC(C)CO.COCCOCCOCCO
InChIInChI=1S/C12H26O5.C7H16O4/c1-9(14)6-15-11(3)8-17-12(4)7-16-10(2)5-13;1-9-4-5-11-7-6-10-3-2-8/h9-14H,5-8H2,1-4H3;8H,2-7H2,1H3
InChIKeyFWDOADZFDGUZEG-UHFFFAOYSA-N
XLogP0.23
TPSA116.07 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.54
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 22051709
2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 22051722
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 22918050
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol
CID 22051748
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
(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-hydroxypropoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 135398128
(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-hydroxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 52944184
2-[(2S)-2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 57250995
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 129258007
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 22051694
2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate;2-(2-hydroxypropoxy)propan-1-ol
CID 22918006
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propan-1-ol
CID 78062387

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propan-1-ol;2-[2-(2-methoxyethoxy)ethoxy]ethanol?
The IUPAC name of 2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propan-1-ol;2-[2-(2-methoxyethoxy)ethoxy]ethanol (CID 87899229) is 2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propan-1-ol;2-[2-(2-methoxyethoxy)ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propan-1-ol;2-[2-(2-methoxyethoxy)ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propan-1-ol;2-[2-(2-methoxyethoxy)ethoxy]ethanol is CC(O)COC(C)COC(C)COC(C)CO.COCCOCCOCCO.
What is the InChIKey of 2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propan-1-ol;2-[2-(2-methoxyethoxy)ethoxy]ethanol?
The InChIKey is FWDOADZFDGUZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O5.C7H16O4/c1-9(14)6-15-11(3)8-17-12(4)7-16-10(2)5-13;1-9-4-5-11-7-6-10-3-2-8/h9-14H,5-8H2,1-4H3;8H,2-7H2,1H3.
What are the key properties of 2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propan-1-ol;2-[2-(2-methoxyethoxy)ethoxy]ethanol?
2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propan-1-ol;2-[2-(2-methoxyethoxy)ethoxy]ethanol has a molecular weight of 414.54 g/mol, XLogP of 0.23, 18 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propan-1-ol;2-[2-(2-methoxyethoxy)ethoxy]ethanol is sourced from PubChem (CID 87899229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).