2,3-diethoxy-4-(2-hydroxyethoxy)pentane-1,5-diol

C11H24O6 — CID 90387499

IUPAC2,3-diethoxy-4-(2-hydroxyethoxy)pentane-1,5-diol
SMILESCCOC(CO)C(OCC)C(CO)OCCO
InChIInChI=1S/C11H24O6/c1-3-15-9(7-13)11(16-4-2)10(8-14)17-6-5-12/h9-14H,3-8H2,1-2H3
InChIKeySSBNYIPKSOQZBW-UHFFFAOYSA-N
MW252.31 g/mol
LogP-0.84
Rot. Bonds11

About 2,3-diethoxy-4-(2-hydroxyethoxy)pentane-1,5-diol

2,3-diethoxy-4-(2-hydroxyethoxy)pentane-1,5-diol (PubChem CID 90387499) has the molecular formula C11H24O6 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2,3-diethoxy-4-(2-hydroxyethoxy)pentane-1,5-diol.

Molecular Properties

Compound Name2,3-diethoxy-4-(2-hydroxyethoxy)pentane-1,5-diol
PubChem CID90387499
Molecular FormulaC11H24O6
Molecular Weight252.31 g/mol
Exact Mass252.16
IUPAC Name2,3-diethoxy-4-(2-hydroxyethoxy)pentane-1,5-diol
SMILESCCOC(CO)C(OCC)C(CO)OCCO
InChIInChI=1S/C11H24O6/c1-3-15-9(7-13)11(16-4-2)10(8-14)17-6-5-12/h9-14H,3-8H2,1-2H3
InChIKeySSBNYIPKSOQZBW-UHFFFAOYSA-N
XLogP-0.84
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-2-(2-hydroxyethoxy)butan-1-ol
CID 134265576
(2S)-3-ethoxy-3-(2-hydroxyethoxy)propane-1,2-diol
CID 89386326
(2S,4R)-2,3,4-tris(3-triethylsilylpropoxy)pentane-1,5-diol
CID 153425778
5-(2-hydroxyethoxy)hexane-1,2,3,4,6-pentol
CID 86156615
CID 89361910
CID 89361910
2,4-dihydroxy-3-(2-hydroxyethoxy)butanoic acid
CID 21325453
2-(1-ethoxyprop-2-ynoxy)ethanol
CID 175543174
(2S)-2-(2-hydroxyethoxy)propan-1-ol
CID 87093044
2-(3,7-dimethyloctan-4-yloxy)ethanol
CID 142712484
1,2,3,4-tetraethoxy-5-[4-(2,3,4,5-tetraethoxypentoxy)butoxy]pentane
CID 129150171
3-amino-4-methyl-2-propoxypentan-1-ol
CID 114358171
2-[3-(2-hydroxyethoxy)butan-2-yloxy]ethanol
CID 14291300

Frequently Asked Questions

What is the IUPAC name of 2,3-diethoxy-4-(2-hydroxyethoxy)pentane-1,5-diol?
The IUPAC name of 2,3-diethoxy-4-(2-hydroxyethoxy)pentane-1,5-diol (CID 90387499) is 2,3-diethoxy-4-(2-hydroxyethoxy)pentane-1,5-diol.
What is the SMILES notation for 2,3-diethoxy-4-(2-hydroxyethoxy)pentane-1,5-diol?
The canonical SMILES for 2,3-diethoxy-4-(2-hydroxyethoxy)pentane-1,5-diol is CCOC(CO)C(OCC)C(CO)OCCO.
What is the InChIKey of 2,3-diethoxy-4-(2-hydroxyethoxy)pentane-1,5-diol?
The InChIKey is SSBNYIPKSOQZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O6/c1-3-15-9(7-13)11(16-4-2)10(8-14)17-6-5-12/h9-14H,3-8H2,1-2H3.
What are the key properties of 2,3-diethoxy-4-(2-hydroxyethoxy)pentane-1,5-diol?
2,3-diethoxy-4-(2-hydroxyethoxy)pentane-1,5-diol has a molecular weight of 252.31 g/mol, XLogP of -0.84, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethoxy-4-(2-hydroxyethoxy)pentane-1,5-diol is sourced from PubChem (CID 90387499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).