2-methyl-3-methylperoxyhexane

C8H18O2 — CID 89198281

IUPAC2-methyl-3-methylperoxyhexane
SMILESCCCC(OOC)C(C)C
InChIInChI=1S/C8H18O2/c1-5-6-8(7(2)3)10-9-4/h7-8H,5-6H2,1-4H3
InChIKeyZKIPLJJCWZPCRP-UHFFFAOYSA-N
MW146.23 g/mol
LogP2.39
Rot. Bonds5

About 2-methyl-3-methylperoxyhexane

2-methyl-3-methylperoxyhexane (PubChem CID 89198281) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is 2-methyl-3-methylperoxyhexane.

Molecular Properties

Compound Name2-methyl-3-methylperoxyhexane
PubChem CID89198281
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name2-methyl-3-methylperoxyhexane
SMILESCCCC(OOC)C(C)C
InChIInChI=1S/C8H18O2/c1-5-6-8(7(2)3)10-9-4/h7-8H,5-6H2,1-4H3
InChIKeyZKIPLJJCWZPCRP-UHFFFAOYSA-N
XLogP2.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-2-methylhexane
CID 23384964
4-methoxy-2-methylheptan-3-ol
CID 116711593
4-ethoxy-2-methylheptan-3-amine
CID 116717495
(3S)-3-ethoxy-2-methylheptane
CID 3086090
2-methyl-3-[(Z)-pent-2-en-3-yl]oxyhexane
CID 176949364
N,N-dimethyl-2-[(3R)-2-methylhexan-3-yl]oxyethanamine
CID 166870401
2-(2-hydroxyethoxy)ethanol;2-methyl-3-(2-methylhexan-3-yloxy)hexane
CID 118255040
3-ethoxy-2-methyldodecane
CID 78302637
3-methylheptan-4-yloxysilane
CID 173078778
4-methoxy-7-methyldecan-5-ol
CID 116711734
(2S)-pentan-2-amine
CID 6997344
2-methyl-3-(2-methyloctadecan-3-yloxy)octadecane
CID 19369989

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-methylperoxyhexane?
The IUPAC name of 2-methyl-3-methylperoxyhexane (CID 89198281) is 2-methyl-3-methylperoxyhexane.
What is the SMILES notation for 2-methyl-3-methylperoxyhexane?
The canonical SMILES for 2-methyl-3-methylperoxyhexane is CCCC(OOC)C(C)C.
What is the InChIKey of 2-methyl-3-methylperoxyhexane?
The InChIKey is ZKIPLJJCWZPCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2/c1-5-6-8(7(2)3)10-9-4/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-methyl-3-methylperoxyhexane?
2-methyl-3-methylperoxyhexane has a molecular weight of 146.23 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methylperoxyhexane is sourced from PubChem (CID 89198281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).