2-dodecoxyethyl ethaneperoxoate

C16H32O4 — CID 87945521

IUPAC2-dodecoxyethyl ethaneperoxoate
SMILESCCCCCCCCCCCCOCCOOC(C)=O
InChIInChI=1S/C16H32O4/c1-3-4-5-6-7-8-9-10-11-12-13-18-14-15-19-20-16(2)17/h3-15H2,1-2H3
InChIKeyNGFXAETYMPBATO-UHFFFAOYSA-N
MW288.43 g/mol
LogP4.42
Rot. Bonds15

About 2-dodecoxyethyl ethaneperoxoate

2-dodecoxyethyl ethaneperoxoate (PubChem CID 87945521) has the molecular formula C16H32O4 and a molecular weight of 288.43 g/mol. Its IUPAC name is 2-dodecoxyethyl ethaneperoxoate.

Molecular Properties

Compound Name2-dodecoxyethyl ethaneperoxoate
PubChem CID87945521
Molecular FormulaC16H32O4
Molecular Weight288.43 g/mol
Exact Mass288.23
IUPAC Name2-dodecoxyethyl ethaneperoxoate
SMILESCCCCCCCCCCCCOCCOOC(C)=O
InChIInChI=1S/C16H32O4/c1-3-4-5-6-7-8-9-10-11-12-13-18-14-15-19-20-16(2)17/h3-15H2,1-2H3
InChIKeyNGFXAETYMPBATO-UHFFFAOYSA-N
XLogP4.42
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(2-decoxyethoxy)ethyl acetate
CID 526732
potassium;hydride;2-tetradecoxyethyl acetate
CID 174815000
3-octoxypropyl acetate
CID 21272964
1-(2-decoxyethoxy)decane
CID 14009354
1-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]heptane
CID 150797704
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octadecane
CID 86345710
1-(2-octoxyethoxy)octane
CID 12711862
1-[2-[2-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octane
CID 151767279
1-[2-(2-tetradecoxyethoxy)ethoxy]tetradecane
CID 10743953
1-[2-(2-heptoxyethoxy)ethoxy]heptane
CID 14402381
1-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]octane
CID 86197097
1-(2-nonoxyethoxy)nonane
CID 87982931

Frequently Asked Questions

What is the IUPAC name of 2-dodecoxyethyl ethaneperoxoate?
The IUPAC name of 2-dodecoxyethyl ethaneperoxoate (CID 87945521) is 2-dodecoxyethyl ethaneperoxoate.
What is the SMILES notation for 2-dodecoxyethyl ethaneperoxoate?
The canonical SMILES for 2-dodecoxyethyl ethaneperoxoate is CCCCCCCCCCCCOCCOOC(C)=O.
What is the InChIKey of 2-dodecoxyethyl ethaneperoxoate?
The InChIKey is NGFXAETYMPBATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O4/c1-3-4-5-6-7-8-9-10-11-12-13-18-14-15-19-20-16(2)17/h3-15H2,1-2H3.
What are the key properties of 2-dodecoxyethyl ethaneperoxoate?
2-dodecoxyethyl ethaneperoxoate has a molecular weight of 288.43 g/mol, XLogP of 4.42, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecoxyethyl ethaneperoxoate is sourced from PubChem (CID 87945521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).