1-(3-methylbutylperoxy)hexane

C11H24O2 — CID 87872309

IUPAC1-(3-methylbutylperoxy)hexane
SMILESCCCCCCOOCCC(C)C
InChIInChI=1S/C11H24O2/c1-4-5-6-7-9-12-13-10-8-11(2)3/h11H,4-10H2,1-3H3
InChIKeySCXFTNPKKWHRLQ-UHFFFAOYSA-N
MW188.31 g/mol
LogP3.56
Rot. Bonds9

About 1-(3-methylbutylperoxy)hexane

1-(3-methylbutylperoxy)hexane (PubChem CID 87872309) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 1-(3-methylbutylperoxy)hexane.

Molecular Properties

Compound Name1-(3-methylbutylperoxy)hexane
PubChem CID87872309
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name1-(3-methylbutylperoxy)hexane
SMILESCCCCCCOOCCC(C)C
InChIInChI=1S/C11H24O2/c1-4-5-6-7-9-12-13-10-8-11(2)3/h11H,4-10H2,1-3H3
InChIKeySCXFTNPKKWHRLQ-UHFFFAOYSA-N
XLogP3.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 53.56
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-[2-(3-methylbutoxy)ethoxy]tetradecane
CID 59344673
1-octylperoxynonane
CID 151564626
1-ethylperoxy-14-methylpentadecane
CID 175001574
1-pentylperoxypentane;sulfane
CID 174916685
6-methyl-1,1-dioctoxyheptane
CID 171428766
2-methylpentaoctacontane
CID 90745672
2-methyldecane
CID 23415
2-methyltetratriacontane
CID 14275207
2-methyloctacosane
CID 519147
1-[2-(2-butoxyethoxy)ethoxy]-3-methylbutane
CID 88620736
1-(4-methyl-1-nonoxypentoxy)nonane
CID 168756191
diethyl-(3-methylbutoxy)-pentadecoxysilane
CID 91744142

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutylperoxy)hexane?
The IUPAC name of 1-(3-methylbutylperoxy)hexane (CID 87872309) is 1-(3-methylbutylperoxy)hexane.
What is the SMILES notation for 1-(3-methylbutylperoxy)hexane?
The canonical SMILES for 1-(3-methylbutylperoxy)hexane is CCCCCCOOCCC(C)C.
What is the InChIKey of 1-(3-methylbutylperoxy)hexane?
The InChIKey is SCXFTNPKKWHRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-4-5-6-7-9-12-13-10-8-11(2)3/h11H,4-10H2,1-3H3.
What are the key properties of 1-(3-methylbutylperoxy)hexane?
1-(3-methylbutylperoxy)hexane has a molecular weight of 188.31 g/mol, XLogP of 3.56, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutylperoxy)hexane is sourced from PubChem (CID 87872309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).