6-(2-hydroxyacetyl)oxyhexyl 2-hydroxypropanoate

C11H20O6 — CID 24937980

IUPAC6-(2-hydroxyacetyl)oxyhexyl 2-hydroxypropanoate
SMILESCC(O)C(=O)OCCCCCCOC(=O)CO
InChIInChI=1S/C11H20O6/c1-9(13)11(15)17-7-5-3-2-4-6-16-10(14)8-12/h9,12-13H,2-8H2,1H3
InChIKeyYFKPVJQYFRXOPG-UHFFFAOYSA-N
MW248.27 g/mol
LogP0.01
Rot. Bonds9

About 6-(2-hydroxyacetyl)oxyhexyl 2-hydroxypropanoate

6-(2-hydroxyacetyl)oxyhexyl 2-hydroxypropanoate (PubChem CID 24937980) has the molecular formula C11H20O6 and a molecular weight of 248.27 g/mol. Its IUPAC name is 6-(2-hydroxyacetyl)oxyhexyl 2-hydroxypropanoate.

Molecular Properties

Compound Name6-(2-hydroxyacetyl)oxyhexyl 2-hydroxypropanoate
PubChem CID24937980
Molecular FormulaC11H20O6
Molecular Weight248.27 g/mol
Exact Mass248.13
IUPAC Name6-(2-hydroxyacetyl)oxyhexyl 2-hydroxypropanoate
SMILESCC(O)C(=O)OCCCCCCOC(=O)CO
InChIInChI=1S/C11H20O6/c1-9(13)11(15)17-7-5-3-2-4-6-16-10(14)8-12/h9,12-13H,2-8H2,1H3
InChIKeyYFKPVJQYFRXOPG-UHFFFAOYSA-N
XLogP0.01
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-methylheptyl 2-hydroxyacetate
CID 139509874
tetradecyl 2-hydroxypropanoate;tetradecyl tetradecanoate
CID 89266925
octadecyl 2-hydroxypropanoate;zinc
CID 174699116
hexacosyl 2-hydroxyacetate
CID 156789960
lithium;hexadecyl 2-hydroxypropanoate;hydride
CID 174573457
CID 87119570
CID 87119570
6-hydroxyhexanoic acid;6-hydroxyhexyl 2-hydroxypropanoate
CID 18471853
6-hydroxytridecyl 2-hydroxyacetate
CID 121405219
sodium;hydride;tetradecyl 2-hydroxyacetate
CID 174584352
4-ethoxybutyl 2-hydroxypropanoate
CID 151280591
2-hydroxyethyl (2R)-2-hydroxypropanoate
CID 14273570
6-(2-hydroperoxyacetyl)oxyhexyl 2-hydroxyacetate
CID 23599841

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyacetyl)oxyhexyl 2-hydroxypropanoate?
The IUPAC name of 6-(2-hydroxyacetyl)oxyhexyl 2-hydroxypropanoate (CID 24937980) is 6-(2-hydroxyacetyl)oxyhexyl 2-hydroxypropanoate.
What is the SMILES notation for 6-(2-hydroxyacetyl)oxyhexyl 2-hydroxypropanoate?
The canonical SMILES for 6-(2-hydroxyacetyl)oxyhexyl 2-hydroxypropanoate is CC(O)C(=O)OCCCCCCOC(=O)CO.
What is the InChIKey of 6-(2-hydroxyacetyl)oxyhexyl 2-hydroxypropanoate?
The InChIKey is YFKPVJQYFRXOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O6/c1-9(13)11(15)17-7-5-3-2-4-6-16-10(14)8-12/h9,12-13H,2-8H2,1H3.
What are the key properties of 6-(2-hydroxyacetyl)oxyhexyl 2-hydroxypropanoate?
6-(2-hydroxyacetyl)oxyhexyl 2-hydroxypropanoate has a molecular weight of 248.27 g/mol, XLogP of 0.01, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyacetyl)oxyhexyl 2-hydroxypropanoate is sourced from PubChem (CID 24937980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).