2-methyl-1-propan-2-ylperoxypropane

C7H16O2 — CID 123988980

IUPAC2-methyl-1-propan-2-ylperoxypropane
SMILESCC(C)COOC(C)C
InChIInChI=1S/C7H16O2/c1-6(2)5-8-9-7(3)4/h6-7H,5H2,1-4H3
InChIKeyDXNNDUJSSRVVQK-UHFFFAOYSA-N
MW132.20 g/mol
LogP2.00
Rot. Bonds4

About 2-methyl-1-propan-2-ylperoxypropane

2-methyl-1-propan-2-ylperoxypropane (PubChem CID 123988980) has the molecular formula C7H16O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is 2-methyl-1-propan-2-ylperoxypropane.

Molecular Properties

Compound Name2-methyl-1-propan-2-ylperoxypropane
PubChem CID123988980
Molecular FormulaC7H16O2
Molecular Weight132.20 g/mol
Exact Mass132.12
IUPAC Name2-methyl-1-propan-2-ylperoxypropane
SMILESCC(C)COOC(C)C
InChIInChI=1S/C7H16O2/c1-6(2)5-8-9-7(3)4/h6-7H,5H2,1-4H3
InChIKeyDXNNDUJSSRVVQK-UHFFFAOYSA-N
XLogP2.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.20
LogP ≤ 52.00
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'}

Analyze 2-methyl-1-propan-2-ylperoxypropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methylpropylperoxy)butane
CID 57278946
3-methyl-4-propan-2-ylperoxybutan-1-ol
CID 143964937
ethane;2-methyl-1-propan-2-yloxypropane
CID 143798682
ethane;2-methyl-1-propan-2-yloxypropane
CID 145385710
2-methylpropylperoxyhydrazine
CID 151250163
2-methylpropyl propan-2-yloxy carbonate
CID 150489292
ethanol;2-methyl-1-(2-methylpropoxy)propane
CID 23506368
methane;2-methyl-1-(2-methylpropoxy)propane
CID 162245040
1-(2-methylpropoxy)propylboranuide
CID 123199874
2-methyl-1-[2-methylpropyl(propan-2-yloxy)phosphoryl]oxypropane
CID 175524065
CID 176550814
CID 176550814
2-methylpropyl dipropan-2-yl phosphate
CID 10728615

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-propan-2-ylperoxypropane?
The IUPAC name of 2-methyl-1-propan-2-ylperoxypropane (CID 123988980) is 2-methyl-1-propan-2-ylperoxypropane.
What is the SMILES notation for 2-methyl-1-propan-2-ylperoxypropane?
The canonical SMILES for 2-methyl-1-propan-2-ylperoxypropane is CC(C)COOC(C)C.
What is the InChIKey of 2-methyl-1-propan-2-ylperoxypropane?
The InChIKey is DXNNDUJSSRVVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2/c1-6(2)5-8-9-7(3)4/h6-7H,5H2,1-4H3.
What are the key properties of 2-methyl-1-propan-2-ylperoxypropane?
2-methyl-1-propan-2-ylperoxypropane has a molecular weight of 132.20 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-propan-2-ylperoxypropane is sourced from PubChem (CID 123988980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).