2-[2-(2-hydroxyethoxy)ethoxy]-4-(2-hydroxypropoxy)pentane-1,3-diol

C12H26O7 — CID 88771519

IUPAC2-[2-(2-hydroxyethoxy)ethoxy]-4-(2-hydroxypropoxy)pentane-1,3-diol
SMILESCC(O)COC(C)C(O)C(CO)OCCOCCO
InChIInChI=1S/C12H26O7/c1-9(15)8-19-10(2)12(16)11(7-14)18-6-5-17-4-3-13/h9-16H,3-8H2,1-2H3
InChIKeyVWWFBOLVACQSDL-UHFFFAOYSA-N
MW282.33 g/mol
LogP-1.48
Rot. Bonds12

About 2-[2-(2-hydroxyethoxy)ethoxy]-4-(2-hydroxypropoxy)pentane-1,3-diol

2-[2-(2-hydroxyethoxy)ethoxy]-4-(2-hydroxypropoxy)pentane-1,3-diol (PubChem CID 88771519) has the molecular formula C12H26O7 and a molecular weight of 282.33 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethoxy]-4-(2-hydroxypropoxy)pentane-1,3-diol.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethoxy]-4-(2-hydroxypropoxy)pentane-1,3-diol
PubChem CID88771519
Molecular FormulaC12H26O7
Molecular Weight282.33 g/mol
Exact Mass282.17
IUPAC Name2-[2-(2-hydroxyethoxy)ethoxy]-4-(2-hydroxypropoxy)pentane-1,3-diol
SMILESCC(O)COC(C)C(O)C(CO)OCCOCCO
InChIInChI=1S/C12H26O7/c1-9(15)8-19-10(2)12(16)11(7-14)18-6-5-17-4-3-13/h9-16H,3-8H2,1-2H3
InChIKeyVWWFBOLVACQSDL-UHFFFAOYSA-N
XLogP-1.48
TPSA108.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 5-1.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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
1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-ol
CID 86587580
2-(2-hydroxyethoxy)ethanol;1-[2-(2-hydroxyethoxy)ethoxy]propan-2-ol
CID 161004910
3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]butane-1,2,4-triol
CID 22358954
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol
CID 22051748
2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propan-1-ol;2-[2-(2-methoxyethoxy)ethoxy]ethanol
CID 87899229
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
1-(2-hydroxyethoxy)propan-2-ol
CID 19360868
2,4-dibutoxypentane-1,3-diol
CID 57041496
2-[2-(3-methylbutan-2-yloxy)ethoxy]ethanol
CID 87592876
2-[2-[2-[2-(3-methylbutan-2-yloxy)ethoxy]ethoxy]ethoxy]ethanol
CID 139963056

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]-4-(2-hydroxypropoxy)pentane-1,3-diol?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]-4-(2-hydroxypropoxy)pentane-1,3-diol (CID 88771519) is 2-[2-(2-hydroxyethoxy)ethoxy]-4-(2-hydroxypropoxy)pentane-1,3-diol.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethoxy]-4-(2-hydroxypropoxy)pentane-1,3-diol?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethoxy]-4-(2-hydroxypropoxy)pentane-1,3-diol is CC(O)COC(C)C(O)C(CO)OCCOCCO.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethoxy]-4-(2-hydroxypropoxy)pentane-1,3-diol?
The InChIKey is VWWFBOLVACQSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O7/c1-9(15)8-19-10(2)12(16)11(7-14)18-6-5-17-4-3-13/h9-16H,3-8H2,1-2H3.
What are the key properties of 2-[2-(2-hydroxyethoxy)ethoxy]-4-(2-hydroxypropoxy)pentane-1,3-diol?
2-[2-(2-hydroxyethoxy)ethoxy]-4-(2-hydroxypropoxy)pentane-1,3-diol has a molecular weight of 282.33 g/mol, XLogP of -1.48, 12 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethoxy]-4-(2-hydroxypropoxy)pentane-1,3-diol is sourced from PubChem (CID 88771519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).