3-(3-hydroxypentan-2-yloxy)propane-1,2-diol

C8H18O4 — CID 123265934

IUPAC3-(3-hydroxypentan-2-yloxy)propane-1,2-diol
SMILESCCC(O)C(C)OCC(O)CO
InChIInChI=1S/C8H18O4/c1-3-8(11)6(2)12-5-7(10)4-9/h6-11H,3-5H2,1-2H3
InChIKeyPXKKFAZSOAHCNK-UHFFFAOYSA-N
MW178.23 g/mol
LogP-0.48
Rot. Bonds6

About 3-(3-hydroxypentan-2-yloxy)propane-1,2-diol

3-(3-hydroxypentan-2-yloxy)propane-1,2-diol (PubChem CID 123265934) has the molecular formula C8H18O4 and a molecular weight of 178.23 g/mol. Its IUPAC name is 3-(3-hydroxypentan-2-yloxy)propane-1,2-diol.

Molecular Properties

Compound Name3-(3-hydroxypentan-2-yloxy)propane-1,2-diol
PubChem CID123265934
Molecular FormulaC8H18O4
Molecular Weight178.23 g/mol
Exact Mass178.12
IUPAC Name3-(3-hydroxypentan-2-yloxy)propane-1,2-diol
SMILESCCC(O)C(C)OCC(O)CO
InChIInChI=1S/C8H18O4/c1-3-8(11)6(2)12-5-7(10)4-9/h6-11H,3-5H2,1-2H3
InChIKeyPXKKFAZSOAHCNK-UHFFFAOYSA-N
XLogP-0.48
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(2-aminoethoxy)butan-2-yloxy]propane-1,2-diol
CID 129092165
(2R,3S)-2-methoxypentan-3-ol
CID 13427568
3-[1-[1-(2,3-dihydroxypropoxy)ethoxy]ethoxy]propane-1,2-diol
CID 87843229
3-(4-hydroxypentan-2-yloxy)propane-1,2-diol
CID 126566671
2-(2,3-dihydroxypropoxy)propanenitrile
CID 54069244
ethyl 2-(2,3-dihydroxypropoxy)butanoate
CID 174629792
1,3-di(butan-2-yloxy)propan-2-ol
CID 22072723
2-(3,3-dimethylbutoxy)pentan-3-ol
CID 66225389
3-(3-methylpent-3-en-2-yloxy)propane-1,2-diol
CID 173222430
2-(2-hydroxypropoxy)hexan-3-ol
CID 22507183
3-[2-(3-hydroxy-2-methylpropoxy)butoxy]propane-1,2-diol
CID 126563059
1-[(2S)-2,3-dihydroxypropoxy]-1-hydroxypropan-2-one
CID 174650131

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypentan-2-yloxy)propane-1,2-diol?
The IUPAC name of 3-(3-hydroxypentan-2-yloxy)propane-1,2-diol (CID 123265934) is 3-(3-hydroxypentan-2-yloxy)propane-1,2-diol.
What is the SMILES notation for 3-(3-hydroxypentan-2-yloxy)propane-1,2-diol?
The canonical SMILES for 3-(3-hydroxypentan-2-yloxy)propane-1,2-diol is CCC(O)C(C)OCC(O)CO.
What is the InChIKey of 3-(3-hydroxypentan-2-yloxy)propane-1,2-diol?
The InChIKey is PXKKFAZSOAHCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O4/c1-3-8(11)6(2)12-5-7(10)4-9/h6-11H,3-5H2,1-2H3.
What are the key properties of 3-(3-hydroxypentan-2-yloxy)propane-1,2-diol?
3-(3-hydroxypentan-2-yloxy)propane-1,2-diol has a molecular weight of 178.23 g/mol, XLogP of -0.48, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypentan-2-yloxy)propane-1,2-diol is sourced from PubChem (CID 123265934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).