hydroperoxymethane;propane

C4H12O2 — CID 173322679

IUPAChydroperoxymethane;propane
SMILESCCC.COO
InChIInChI=1S/C3H8.CH4O2/c2*1-3-2/h3H2,1-2H3;2H,1H3
InChIKeyPGNUNVFLUCEREY-UHFFFAOYSA-N
MW92.14 g/mol
LogP1.52
Rot. Bonds

About hydroperoxymethane;propane

hydroperoxymethane;propane (PubChem CID 173322679) has the molecular formula C4H12O2 and a molecular weight of 92.14 g/mol. Its IUPAC name is hydroperoxymethane;propane.

Molecular Properties

Compound Namehydroperoxymethane;propane
PubChem CID173322679
Molecular FormulaC4H12O2
Molecular Weight92.14 g/mol
Exact Mass92.08
IUPAC Namehydroperoxymethane;propane
SMILESCCC.COO
InChIInChI=1S/C3H8.CH4O2/c2*1-3-2/h3H2,1-2H3;2H,1H3
InChIKeyPGNUNVFLUCEREY-UHFFFAOYSA-N
XLogP1.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.14
LogP ≤ 51.52
H-Bond Donors ≤ 51
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 hydroperoxymethane;propane?
The IUPAC name of hydroperoxymethane;propane (CID 173322679) is hydroperoxymethane;propane.
What is the SMILES notation for hydroperoxymethane;propane?
The canonical SMILES for hydroperoxymethane;propane is CCC.COO.
What is the InChIKey of hydroperoxymethane;propane?
The InChIKey is PGNUNVFLUCEREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8.CH4O2/c2*1-3-2/h3H2,1-2H3;2H,1H3.
What are the key properties of hydroperoxymethane;propane?
hydroperoxymethane;propane has a molecular weight of 92.14 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroperoxymethane;propane is sourced from PubChem (CID 173322679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).