3-ethyl-3-hydroperoxyperoxyundecane

C13H28O4 — CID 140733468

IUPAC3-ethyl-3-hydroperoxyperoxyundecane
SMILESCCCCCCCCC(CC)(CC)OOOO
InChIInChI=1S/C13H28O4/c1-4-7-8-9-10-11-12-13(5-2,6-3)15-17-16-14/h14H,4-12H2,1-3H3
InChIKeyUVRQBBGIYQUTLE-UHFFFAOYSA-N
MW248.36 g/mol
LogP4.65
Rot. Bonds12

About 3-ethyl-3-hydroperoxyperoxyundecane

3-ethyl-3-hydroperoxyperoxyundecane (PubChem CID 140733468) has the molecular formula C13H28O4 and a molecular weight of 248.36 g/mol. Its IUPAC name is 3-ethyl-3-hydroperoxyperoxyundecane.

Molecular Properties

Compound Name3-ethyl-3-hydroperoxyperoxyundecane
PubChem CID140733468
Molecular FormulaC13H28O4
Molecular Weight248.36 g/mol
Exact Mass248.20
IUPAC Name3-ethyl-3-hydroperoxyperoxyundecane
SMILESCCCCCCCCC(CC)(CC)OOOO
InChIInChI=1S/C13H28O4/c1-4-7-8-9-10-11-12-13(5-2,6-3)15-17-16-14/h14H,4-12H2,1-3H3
InChIKeyUVRQBBGIYQUTLE-UHFFFAOYSA-N
XLogP4.65
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.36
LogP ≤ 54.65
H-Bond Donors ≤ 51
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

5-butyl-5-hydroperoxyperoxyhexadecane
CID 140639997
4-hydroperoxyperoxy-4-propylpentadecane
CID 140640166
3-ethyl-3-hydroperoxytridecane
CID 140733477
3-ethyl-3-methoxydecane
CID 89190150
11-propyl-11-(11-propylhenicosan-11-ylperoxy)henicosane
CID 155668142
5-butoxyperoxy-5-butylheptadecane
CID 90109900
4-propoxyperoxy-4-propylundecane
CID 90111680
4-propoxyperoxy-4-propylhexadecane
CID 90111121
11-methoxy-11-nonyltetracosane
CID 159441841
14-tridecyloctacosan-14-yloxysilane
CID 173060340
17-hexadecyltetratriacontan-17-yloxysilane
CID 173060502
3-butoxy-3-ethyloctane
CID 156635634

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-hydroperoxyperoxyundecane?
The IUPAC name of 3-ethyl-3-hydroperoxyperoxyundecane (CID 140733468) is 3-ethyl-3-hydroperoxyperoxyundecane.
What is the SMILES notation for 3-ethyl-3-hydroperoxyperoxyundecane?
The canonical SMILES for 3-ethyl-3-hydroperoxyperoxyundecane is CCCCCCCCC(CC)(CC)OOOO.
What is the InChIKey of 3-ethyl-3-hydroperoxyperoxyundecane?
The InChIKey is UVRQBBGIYQUTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O4/c1-4-7-8-9-10-11-12-13(5-2,6-3)15-17-16-14/h14H,4-12H2,1-3H3.
What are the key properties of 3-ethyl-3-hydroperoxyperoxyundecane?
3-ethyl-3-hydroperoxyperoxyundecane has a molecular weight of 248.36 g/mol, XLogP of 4.65, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-hydroperoxyperoxyundecane is sourced from PubChem (CID 140733468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).