2-(2-hydroxyethoxy)ethyl dodecaneperoxoate

C16H32O5 — CID 174716237

IUPAC2-(2-hydroxyethoxy)ethyl dodecaneperoxoate
SMILESCCCCCCCCCCCC(=O)OOCCOCCO
InChIInChI=1S/C16H32O5/c1-2-3-4-5-6-7-8-9-10-11-16(18)21-20-15-14-19-13-12-17/h17H,2-15H2,1H3
InChIKeyFDRJSGDRNPLHMC-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.39
Rot. Bonds16

About 2-(2-hydroxyethoxy)ethyl dodecaneperoxoate

2-(2-hydroxyethoxy)ethyl dodecaneperoxoate (PubChem CID 174716237) has the molecular formula C16H32O5 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethyl dodecaneperoxoate.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethyl dodecaneperoxoate
PubChem CID174716237
Molecular FormulaC16H32O5
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name2-(2-hydroxyethoxy)ethyl dodecaneperoxoate
SMILESCCCCCCCCCCCC(=O)OOCCOCCO
InChIInChI=1S/C16H32O5/c1-2-3-4-5-6-7-8-9-10-11-16(18)21-20-15-14-19-13-12-17/h17H,2-15H2,1H3
InChIKeyFDRJSGDRNPLHMC-UHFFFAOYSA-N
XLogP3.39
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

2-hydroxyethyl octadecaneperoxoate
CID 87676050
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-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-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl decanoate
CID 139595421
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
octadecyl octadecaneperoxoate
CID 139705570
6-[2-(2-hydroxyethoxy)ethylperoxy]-6-oxohexanoic acid
CID 88844301
butyl octadecanoate;2-(2-hydroxyethoxy)ethanol
CID 23498291
heptanoic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 87510106
octadecanoyl octadecaneperoxoate;1-octoxydodecane
CID 175159083

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)ethyl dodecaneperoxoate?
The IUPAC name of 2-(2-hydroxyethoxy)ethyl dodecaneperoxoate (CID 174716237) is 2-(2-hydroxyethoxy)ethyl dodecaneperoxoate.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethyl dodecaneperoxoate?
The canonical SMILES for 2-(2-hydroxyethoxy)ethyl dodecaneperoxoate is CCCCCCCCCCCC(=O)OOCCOCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)ethyl dodecaneperoxoate?
The InChIKey is FDRJSGDRNPLHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O5/c1-2-3-4-5-6-7-8-9-10-11-16(18)21-20-15-14-19-13-12-17/h17H,2-15H2,1H3.
What are the key properties of 2-(2-hydroxyethoxy)ethyl dodecaneperoxoate?
2-(2-hydroxyethoxy)ethyl dodecaneperoxoate has a molecular weight of 304.43 g/mol, XLogP of 3.39, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethyl dodecaneperoxoate is sourced from PubChem (CID 174716237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).