3-ethyl-3-hydroperoxytridecane

C15H32O2 — CID 140733477

IUPAC3-ethyl-3-hydroperoxytridecane
SMILESCCCCCCCCCCC(CC)(CC)OO
InChIInChI=1S/C15H32O2/c1-4-7-8-9-10-11-12-13-14-15(5-2,6-3)17-16/h16H,4-14H2,1-3H3
InChIKeyBOSTUQZCGYOYNU-UHFFFAOYSA-N
MW244.42 g/mol
LogP5.57
Rot. Bonds12

About 3-ethyl-3-hydroperoxytridecane

3-ethyl-3-hydroperoxytridecane (PubChem CID 140733477) has the molecular formula C15H32O2 and a molecular weight of 244.42 g/mol. Its IUPAC name is 3-ethyl-3-hydroperoxytridecane.

Molecular Properties

Compound Name3-ethyl-3-hydroperoxytridecane
PubChem CID140733477
Molecular FormulaC15H32O2
Molecular Weight244.42 g/mol
Exact Mass244.24
IUPAC Name3-ethyl-3-hydroperoxytridecane
SMILESCCCCCCCCCCC(CC)(CC)OO
InChIInChI=1S/C15H32O2/c1-4-7-8-9-10-11-12-13-14-15(5-2,6-3)17-16/h16H,4-14H2,1-3H3
InChIKeyBOSTUQZCGYOYNU-UHFFFAOYSA-N
XLogP5.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.42
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

3-ethyl-3-hydroperoxyperoxyundecane
CID 140733468
3-ethyl-3-methoxydecane
CID 89190150
2-hydroperoxy-2-methyltridecane
CID 140639786
2-hydroperoxy-2-methylnonane
CID 15188455
11-methoxy-11-nonyltetracosane
CID 159441841
14-tridecyloctacosan-14-yloxysilane
CID 173060340
17-hexadecyltetratriacontan-17-yloxysilane
CID 173060502
3-butoxy-3-ethyloctane
CID 156635634
3-ethyloctan-3-yl hexadecanoate
CID 141194185
5-butyl-5-hydroperoxyperoxyhexadecane
CID 140639997
2-hydroperoxy-2-methylpropane;nonane
CID 19855271
11-propyl-11-(11-propylhenicosan-11-ylperoxy)henicosane
CID 155668142

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-hydroperoxytridecane?
The IUPAC name of 3-ethyl-3-hydroperoxytridecane (CID 140733477) is 3-ethyl-3-hydroperoxytridecane.
What is the SMILES notation for 3-ethyl-3-hydroperoxytridecane?
The canonical SMILES for 3-ethyl-3-hydroperoxytridecane is CCCCCCCCCCC(CC)(CC)OO.
What is the InChIKey of 3-ethyl-3-hydroperoxytridecane?
The InChIKey is BOSTUQZCGYOYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O2/c1-4-7-8-9-10-11-12-13-14-15(5-2,6-3)17-16/h16H,4-14H2,1-3H3.
What are the key properties of 3-ethyl-3-hydroperoxytridecane?
3-ethyl-3-hydroperoxytridecane has a molecular weight of 244.42 g/mol, XLogP of 5.57, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-hydroperoxytridecane is sourced from PubChem (CID 140733477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).