2-methyl-2-propan-2-ylperoxypentane

C9H20O2 — CID 22186447

IUPAC2-methyl-2-propan-2-ylperoxypentane
SMILESCCCC(C)(C)OOC(C)C
InChIInChI=1S/C9H20O2/c1-6-7-9(4,5)11-10-8(2)3/h8H,6-7H2,1-5H3
InChIKeyNGQNYIPFLSPKOY-UHFFFAOYSA-N
MW160.26 g/mol
LogP2.92
Rot. Bonds5

About 2-methyl-2-propan-2-ylperoxypentane

2-methyl-2-propan-2-ylperoxypentane (PubChem CID 22186447) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 2-methyl-2-propan-2-ylperoxypentane.

Molecular Properties

Compound Name2-methyl-2-propan-2-ylperoxypentane
PubChem CID22186447
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name2-methyl-2-propan-2-ylperoxypentane
SMILESCCCC(C)(C)OOC(C)C
InChIInChI=1S/C9H20O2/c1-6-7-9(4,5)11-10-8(2)3/h8H,6-7H2,1-5H3
InChIKeyNGQNYIPFLSPKOY-UHFFFAOYSA-N
XLogP2.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 52.92
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-propan-2-ylperoxypentane?
The IUPAC name of 2-methyl-2-propan-2-ylperoxypentane (CID 22186447) is 2-methyl-2-propan-2-ylperoxypentane.
What is the SMILES notation for 2-methyl-2-propan-2-ylperoxypentane?
The canonical SMILES for 2-methyl-2-propan-2-ylperoxypentane is CCCC(C)(C)OOC(C)C.
What is the InChIKey of 2-methyl-2-propan-2-ylperoxypentane?
The InChIKey is NGQNYIPFLSPKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-6-7-9(4,5)11-10-8(2)3/h8H,6-7H2,1-5H3.
What are the key properties of 2-methyl-2-propan-2-ylperoxypentane?
2-methyl-2-propan-2-ylperoxypentane has a molecular weight of 160.26 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-propan-2-ylperoxypentane is sourced from PubChem (CID 22186447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).