1-methylperoxydecane

C11H24O2 — CID 20726912

IUPAC1-methylperoxydecane
SMILESCCCCCCCCCCOOC
InChIInChI=1S/C11H24O2/c1-3-4-5-6-7-8-9-10-11-13-12-2/h3-11H2,1-2H3
InChIKeyKTEVCWCXLOXALO-UHFFFAOYSA-N
MW188.31 g/mol
LogP3.71
Rot. Bonds10

About 1-methylperoxydecane

1-methylperoxydecane (PubChem CID 20726912) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 1-methylperoxydecane.

Molecular Properties

Compound Name1-methylperoxydecane
PubChem CID20726912
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name1-methylperoxydecane
SMILESCCCCCCCCCCOOC
InChIInChI=1S/C11H24O2/c1-3-4-5-6-7-8-9-10-11-13-12-2/h3-11H2,1-2H3
InChIKeyKTEVCWCXLOXALO-UHFFFAOYSA-N
XLogP3.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 53.71
H-Bond Donors ≤ 50
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

1-methylperoxydocosane
CID 173387093
1-octylperoxynonane
CID 151564626
1-pentylperoxypentane;sulfane
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1-(7,7-dioctoxyheptoxy)-9-methylperoxynonane
CID 175225379
1-butylperoxyperoxynonane
CID 90169675
1-butoxyperoxynonane
CID 90110144
1-[2-(2-heptoxyethoxy)ethoxy]heptane
CID 14402381
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-tetradecoxyethoxy)ethoxy]tetradecane
CID 10743953
1-methoxyhexacosane
CID 20780514

Frequently Asked Questions

What is the IUPAC name of 1-methylperoxydecane?
The IUPAC name of 1-methylperoxydecane (CID 20726912) is 1-methylperoxydecane.
What is the SMILES notation for 1-methylperoxydecane?
The canonical SMILES for 1-methylperoxydecane is CCCCCCCCCCOOC.
What is the InChIKey of 1-methylperoxydecane?
The InChIKey is KTEVCWCXLOXALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-3-4-5-6-7-8-9-10-11-13-12-2/h3-11H2,1-2H3.
What are the key properties of 1-methylperoxydecane?
1-methylperoxydecane has a molecular weight of 188.31 g/mol, XLogP of 3.71, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylperoxydecane is sourced from PubChem (CID 20726912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).