1-(2-hydroperoxyethoxy)tridecane

C15H32O3 — CID 87578926

IUPAC1-(2-hydroperoxyethoxy)tridecane
SMILESCCCCCCCCCCCCCOCCOO
InChIInChI=1S/C15H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-14-15-18-16/h16H,2-15H2,1H3
InChIKeyLHMVFUDRNGZESI-UHFFFAOYSA-N
MW260.42 g/mol
LogP4.80
Rot. Bonds15

About 1-(2-hydroperoxyethoxy)tridecane

1-(2-hydroperoxyethoxy)tridecane (PubChem CID 87578926) has the molecular formula C15H32O3 and a molecular weight of 260.42 g/mol. Its IUPAC name is 1-(2-hydroperoxyethoxy)tridecane.

Molecular Properties

Compound Name1-(2-hydroperoxyethoxy)tridecane
PubChem CID87578926
Molecular FormulaC15H32O3
Molecular Weight260.42 g/mol
Exact Mass260.24
IUPAC Name1-(2-hydroperoxyethoxy)tridecane
SMILESCCCCCCCCCCCCCOCCOO
InChIInChI=1S/C15H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-14-15-18-16/h16H,2-15H2,1H3
InChIKeyLHMVFUDRNGZESI-UHFFFAOYSA-N
XLogP4.80
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]heptane
CID 150797704
1-[2-(2-tetradecoxyethoxy)ethoxy]tetradecane
CID 10743953
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-heptoxyethoxy)ethoxy]heptane
CID 14402381
1-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]octane
CID 86197097
1-(2-decoxyethoxy)decane
CID 14009354
1-(2-nonoxyethoxy)nonane
CID 87982931
1-hydroperoxyheptadecane
CID 123893325
1-decoxydocosane
CID 87077677
1-dodecoxyhexadecane
CID 22256973

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroperoxyethoxy)tridecane?
The IUPAC name of 1-(2-hydroperoxyethoxy)tridecane (CID 87578926) is 1-(2-hydroperoxyethoxy)tridecane.
What is the SMILES notation for 1-(2-hydroperoxyethoxy)tridecane?
The canonical SMILES for 1-(2-hydroperoxyethoxy)tridecane is CCCCCCCCCCCCCOCCOO.
What is the InChIKey of 1-(2-hydroperoxyethoxy)tridecane?
The InChIKey is LHMVFUDRNGZESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-14-15-18-16/h16H,2-15H2,1H3.
What are the key properties of 1-(2-hydroperoxyethoxy)tridecane?
1-(2-hydroperoxyethoxy)tridecane has a molecular weight of 260.42 g/mol, XLogP of 4.80, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroperoxyethoxy)tridecane is sourced from PubChem (CID 87578926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).