5-butoxyperoxydecane

C14H30O3 — CID 90111199

IUPAC5-butoxyperoxydecane
SMILESCCCCCC(CCCC)OOOCCCC
InChIInChI=1S/C14H30O3/c1-4-7-10-12-14(11-8-5-2)16-17-15-13-9-6-3/h14H,4-13H2,1-3H3
InChIKeyGXCWEPZWPNCRPX-UHFFFAOYSA-N
MW246.39 g/mol
LogP4.81
Rot. Bonds13

About 5-butoxyperoxydecane

5-butoxyperoxydecane (PubChem CID 90111199) has the molecular formula C14H30O3 and a molecular weight of 246.39 g/mol. Its IUPAC name is 5-butoxyperoxydecane.

Molecular Properties

Compound Name5-butoxyperoxydecane
PubChem CID90111199
Molecular FormulaC14H30O3
Molecular Weight246.39 g/mol
Exact Mass246.22
IUPAC Name5-butoxyperoxydecane
SMILESCCCCCC(CCCC)OOOCCCC
InChIInChI=1S/C14H30O3/c1-4-7-10-12-14(11-8-5-2)16-17-15-13-9-6-3/h14H,4-13H2,1-3H3
InChIKeyGXCWEPZWPNCRPX-UHFFFAOYSA-N
XLogP4.81
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.81
H-Bond Donors ≤ 50
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

3-ethoxyperoxydecane;1-ethoxyperoxydodecane;3-ethoxyperoxydodecane;3-ethoxyperoxynonane;3-ethoxyperoxyoctane;1-ethoxyperoxytridecane;1-ethoxyperoxyundecane;3-ethoxyperoxyundecane
CID 174798806
3-ethoxyperoxypentadecane
CID 90109501
4-hydroperoxyperoxyundecane
CID 141347874
1-butylperoxyperoxynonane
CID 90169675
1-butoxyperoxynonane
CID 90110144
3-ethylperoxyperoxytridecane
CID 90108380
(5S)-5-methoxyundecane
CID 118889956
3-hydroperoxyperoxytetradecane
CID 140639805
1-butylperoxybutane
CID 159275797
16-tetratriacontan-16-yloxytetratriacontane
CID 91150918
6-tricosan-6-yloxytricosane
CID 57279617
decan-5-yloxy(trimethyl)silane
CID 553210

Frequently Asked Questions

What is the IUPAC name of 5-butoxyperoxydecane?
The IUPAC name of 5-butoxyperoxydecane (CID 90111199) is 5-butoxyperoxydecane.
What is the SMILES notation for 5-butoxyperoxydecane?
The canonical SMILES for 5-butoxyperoxydecane is CCCCCC(CCCC)OOOCCCC.
What is the InChIKey of 5-butoxyperoxydecane?
The InChIKey is GXCWEPZWPNCRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O3/c1-4-7-10-12-14(11-8-5-2)16-17-15-13-9-6-3/h14H,4-13H2,1-3H3.
What are the key properties of 5-butoxyperoxydecane?
5-butoxyperoxydecane has a molecular weight of 246.39 g/mol, XLogP of 4.81, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butoxyperoxydecane is sourced from PubChem (CID 90111199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).