ethoxyethane;2-hydroxyethyl docosanoate

C28H58O4 — CID 121301688

IUPACethoxyethane;2-hydroxyethyl docosanoate
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)OCCO.CCOCC
InChIInChI=1S/C24H48O3.C4H10O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(26)27-23-22-25;1-3-5-4-2/h25H,2-23H2,1H3;3-4H2,1-2H3
InChIKeyLRFPHSNUAVQXCC-UHFFFAOYSA-N
MW458.77 g/mol
LogP8.39
Rot. Bonds24

About ethoxyethane;2-hydroxyethyl docosanoate

ethoxyethane;2-hydroxyethyl docosanoate (PubChem CID 121301688) has the molecular formula C28H58O4 and a molecular weight of 458.77 g/mol. Its IUPAC name is ethoxyethane;2-hydroxyethyl docosanoate.

Molecular Properties

Compound Nameethoxyethane;2-hydroxyethyl docosanoate
PubChem CID121301688
Molecular FormulaC28H58O4
Molecular Weight458.77 g/mol
Exact Mass458.43
IUPAC Nameethoxyethane;2-hydroxyethyl docosanoate
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)OCCO.CCOCC
InChIInChI=1S/C24H48O3.C4H10O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(26)27-23-22-25;1-3-5-4-2/h25H,2-23H2,1H3;3-4H2,1-2H3
InChIKeyLRFPHSNUAVQXCC-UHFFFAOYSA-N
XLogP8.39
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.77
LogP ≤ 58.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethoxyethane;2-hydroxyethyl dodecanoate
CID 87130982
sodium;hydride;2-hydroxyethyl dodecanoate
CID 173434676
ethene;2-hydroxyethyl hexadecanoate
CID 87221064
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl nonanoate
CID 139594206
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]ethyl nonanoate
CID 139595493
2-[2-[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]ethoxy]ethoxy]ethyl decanoate
CID 139595421
butyl octadecanoate;2-(2-hydroxyethoxy)ethanol
CID 23498291
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]ethyl decanoate
CID 139596714
2-[2-(2-hydroxyethoxy)ethoxy]ethyl icosanoate
CID 176892143
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hexadecanoate
CID 139595451
1-O-butyl 6-O-(2-hydroxyethyl) hexanedioate
CID 87069047
octyl 18-ethoxyoctadecanoate
CID 88843598

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;2-hydroxyethyl docosanoate?
The IUPAC name of ethoxyethane;2-hydroxyethyl docosanoate (CID 121301688) is ethoxyethane;2-hydroxyethyl docosanoate.
What is the SMILES notation for ethoxyethane;2-hydroxyethyl docosanoate?
The canonical SMILES for ethoxyethane;2-hydroxyethyl docosanoate is CCCCCCCCCCCCCCCCCCCCCC(=O)OCCO.CCOCC.
What is the InChIKey of ethoxyethane;2-hydroxyethyl docosanoate?
The InChIKey is LRFPHSNUAVQXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O3.C4H10O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(26)27-23-22-25;1-3-5-4-2/h25H,2-23H2,1H3;3-4H2,1-2H3.
What are the key properties of ethoxyethane;2-hydroxyethyl docosanoate?
ethoxyethane;2-hydroxyethyl docosanoate has a molecular weight of 458.77 g/mol, XLogP of 8.39, 24 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;2-hydroxyethyl docosanoate is sourced from PubChem (CID 121301688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).