3-hydroperoxyprop-1-ene

C3H6O2 — CID 10982484

IUPAC3-hydroperoxyprop-1-ene
SMILESC=CCOO
InChIInChI=1S/C3H6O2/c1-2-3-5-4/h2,4H,1,3H2
InChIKeyLYPJURWUGVQBTD-UHFFFAOYSA-N
MW74.08 g/mol
LogP0.66
Rot. Bonds2

About 3-hydroperoxyprop-1-ene

3-hydroperoxyprop-1-ene (PubChem CID 10982484) has the molecular formula C3H6O2 and a molecular weight of 74.08 g/mol. Its IUPAC name is 3-hydroperoxyprop-1-ene.

Molecular Properties

Compound Name3-hydroperoxyprop-1-ene
PubChem CID10982484
Molecular FormulaC3H6O2
Molecular Weight74.08 g/mol
Exact Mass74.04
IUPAC Name3-hydroperoxyprop-1-ene
SMILESC=CCOO
InChIInChI=1S/C3H6O2/c1-2-3-5-4/h2,4H,1,3H2
InChIKeyLYPJURWUGVQBTD-UHFFFAOYSA-N
XLogP0.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50074.08
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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 3-hydroperoxyprop-1-ene?
The IUPAC name of 3-hydroperoxyprop-1-ene (CID 10982484) is 3-hydroperoxyprop-1-ene.
What is the SMILES notation for 3-hydroperoxyprop-1-ene?
The canonical SMILES for 3-hydroperoxyprop-1-ene is C=CCOO.
What is the InChIKey of 3-hydroperoxyprop-1-ene?
The InChIKey is LYPJURWUGVQBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2/c1-2-3-5-4/h2,4H,1,3H2.
What are the key properties of 3-hydroperoxyprop-1-ene?
3-hydroperoxyprop-1-ene has a molecular weight of 74.08 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroperoxyprop-1-ene is sourced from PubChem (CID 10982484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).