2-methoxyperoxy-2-methylheptane

C9H20O3 — CID 90108638

IUPAC2-methoxyperoxy-2-methylheptane
SMILESCCCCCC(C)(C)OOOC
InChIInChI=1S/C9H20O3/c1-5-6-7-8-9(2,3)11-12-10-4/h5-8H2,1-4H3
InChIKeyOUEGCUATMRUWJI-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.85
Rot. Bonds7

About 2-methoxyperoxy-2-methylheptane

2-methoxyperoxy-2-methylheptane (PubChem CID 90108638) has the molecular formula C9H20O3 and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-methoxyperoxy-2-methylheptane.

Molecular Properties

Compound Name2-methoxyperoxy-2-methylheptane
PubChem CID90108638
Molecular FormulaC9H20O3
Molecular Weight176.26 g/mol
Exact Mass176.14
IUPAC Name2-methoxyperoxy-2-methylheptane
SMILESCCCCCC(C)(C)OOOC
InChIInChI=1S/C9H20O3/c1-5-6-7-8-9(2,3)11-12-10-4/h5-8H2,1-4H3
InChIKeyOUEGCUATMRUWJI-UHFFFAOYSA-N
XLogP2.85
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.85
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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Frequently Asked Questions

What is the IUPAC name of 2-methoxyperoxy-2-methylheptane?
The IUPAC name of 2-methoxyperoxy-2-methylheptane (CID 90108638) is 2-methoxyperoxy-2-methylheptane.
What is the SMILES notation for 2-methoxyperoxy-2-methylheptane?
The canonical SMILES for 2-methoxyperoxy-2-methylheptane is CCCCCC(C)(C)OOOC.
What is the InChIKey of 2-methoxyperoxy-2-methylheptane?
The InChIKey is OUEGCUATMRUWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3/c1-5-6-7-8-9(2,3)11-12-10-4/h5-8H2,1-4H3.
What are the key properties of 2-methoxyperoxy-2-methylheptane?
2-methoxyperoxy-2-methylheptane has a molecular weight of 176.26 g/mol, XLogP of 2.85, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyperoxy-2-methylheptane is sourced from PubChem (CID 90108638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).