2-ethylhexyl 2-[2-(2-ethylhexoxy)-1-hydroxy-2-oxoethoxy]-2-hydroxyacetate

C20H38O7 — CID 150485594

IUPAC2-ethylhexyl 2-[2-(2-ethylhexoxy)-1-hydroxy-2-oxoethoxy]-2-hydroxyacetate
SMILESCCCCC(CC)COC(=O)C(O)OC(O)C(=O)OCC(CC)CCCC
InChIInChI=1S/C20H38O7/c1-5-9-11-15(7-3)13-25-17(21)19(23)27-20(24)18(22)26-14-16(8-4)12-10-6-2/h15-16,19-20,23-24H,5-14H2,1-4H3
InChIKeyHUSJOBIPCBTAFX-UHFFFAOYSA-N
MW390.52 g/mol
LogP3.16
Rot. Bonds16

About 2-ethylhexyl 2-[2-(2-ethylhexoxy)-1-hydroxy-2-oxoethoxy]-2-hydroxyacetate

2-ethylhexyl 2-[2-(2-ethylhexoxy)-1-hydroxy-2-oxoethoxy]-2-hydroxyacetate (PubChem CID 150485594) has the molecular formula C20H38O7 and a molecular weight of 390.52 g/mol. Its IUPAC name is 2-ethylhexyl 2-[2-(2-ethylhexoxy)-1-hydroxy-2-oxoethoxy]-2-hydroxyacetate.

Molecular Properties

Compound Name2-ethylhexyl 2-[2-(2-ethylhexoxy)-1-hydroxy-2-oxoethoxy]-2-hydroxyacetate
PubChem CID150485594
Molecular FormulaC20H38O7
Molecular Weight390.52 g/mol
Exact Mass390.26
IUPAC Name2-ethylhexyl 2-[2-(2-ethylhexoxy)-1-hydroxy-2-oxoethoxy]-2-hydroxyacetate
SMILESCCCCC(CC)COC(=O)C(O)OC(O)C(=O)OCC(CC)CCCC
InChIInChI=1S/C20H38O7/c1-5-9-11-15(7-3)13-25-17(21)19(23)27-20(24)18(22)26-14-16(8-4)12-10-6-2/h15-16,19-20,23-24H,5-14H2,1-4H3
InChIKeyHUSJOBIPCBTAFX-UHFFFAOYSA-N
XLogP3.16
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-ethylhexyl 2-[2-(2-ethylhexoxy)-1-hydroxy-2-oxoethoxy]-2-hydroxyacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethylhexyl 2-aminohexanoate
CID 61303871
2-ethylhexyl (2S)-2-aminohexanoate
CID 107145199
2-ethylhexyl 2-methylbutanoate
CID 3023949
2-ethylhexyl 2-amino-3-hydroxybutanoate
CID 61302291
2-ethylhexyl 4-ethyl-2-(2-ethylhexyl)octanoate
CID 91272918
[(2R)-2-ethylhexoxy]carbonyloxy [(2S)-2-ethylhexyl] carbonate
CID 94863795
1-O-[(2S)-2-ethylhexyl] 4-O-[(2R)-2-ethylhexyl] (E)-but-2-enedioate
CID 42587879
2-ethylhexyl (2S)-2-amino-3-methylbutanoate
CID 61302679
2-ethylhexyl 4-ethyl-2-methyloctanoate
CID 150137070
acetic acid;2-ethylhexyl acetate
CID 159619780
bis(2-ethylhexyl propanoate);hydroxylamine
CID 88651509
ethyl 2-ethylhexyl carbonate
CID 54194012

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl 2-[2-(2-ethylhexoxy)-1-hydroxy-2-oxoethoxy]-2-hydroxyacetate?
The IUPAC name of 2-ethylhexyl 2-[2-(2-ethylhexoxy)-1-hydroxy-2-oxoethoxy]-2-hydroxyacetate (CID 150485594) is 2-ethylhexyl 2-[2-(2-ethylhexoxy)-1-hydroxy-2-oxoethoxy]-2-hydroxyacetate.
What is the SMILES notation for 2-ethylhexyl 2-[2-(2-ethylhexoxy)-1-hydroxy-2-oxoethoxy]-2-hydroxyacetate?
The canonical SMILES for 2-ethylhexyl 2-[2-(2-ethylhexoxy)-1-hydroxy-2-oxoethoxy]-2-hydroxyacetate is CCCCC(CC)COC(=O)C(O)OC(O)C(=O)OCC(CC)CCCC.
What is the InChIKey of 2-ethylhexyl 2-[2-(2-ethylhexoxy)-1-hydroxy-2-oxoethoxy]-2-hydroxyacetate?
The InChIKey is HUSJOBIPCBTAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O7/c1-5-9-11-15(7-3)13-25-17(21)19(23)27-20(24)18(22)26-14-16(8-4)12-10-6-2/h15-16,19-20,23-24H,5-14H2,1-4H3.
What are the key properties of 2-ethylhexyl 2-[2-(2-ethylhexoxy)-1-hydroxy-2-oxoethoxy]-2-hydroxyacetate?
2-ethylhexyl 2-[2-(2-ethylhexoxy)-1-hydroxy-2-oxoethoxy]-2-hydroxyacetate has a molecular weight of 390.52 g/mol, XLogP of 3.16, 16 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl 2-[2-(2-ethylhexoxy)-1-hydroxy-2-oxoethoxy]-2-hydroxyacetate is sourced from PubChem (CID 150485594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).