carbonoperoxoic acid;prop-1-ene

C4H8O4 — CID 134330161

IUPACcarbonoperoxoic acid;prop-1-ene
SMILESC=CC.O=C(O)OO
InChIInChI=1S/C3H6.CH2O4/c1-3-2;2-1(3)5-4/h3H,1H2,2H3;4H,(H,2,3)
InChIKeyRQPHYTQFLGQXRD-UHFFFAOYSA-N
MW120.10 g/mol
LogP1.35
Rot. Bonds

About carbonoperoxoic acid;prop-1-ene

carbonoperoxoic acid;prop-1-ene (PubChem CID 134330161) has the molecular formula C4H8O4 and a molecular weight of 120.10 g/mol. Its IUPAC name is carbonoperoxoic acid;prop-1-ene.

Molecular Properties

Compound Namecarbonoperoxoic acid;prop-1-ene
PubChem CID134330161
Molecular FormulaC4H8O4
Molecular Weight120.10 g/mol
Exact Mass120.04
IUPAC Namecarbonoperoxoic acid;prop-1-ene
SMILESC=CC.O=C(O)OO
InChIInChI=1S/C3H6.CH2O4/c1-3-2;2-1(3)5-4/h3H,1H2,2H3;4H,(H,2,3)
InChIKeyRQPHYTQFLGQXRD-UHFFFAOYSA-N
XLogP1.35
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.10
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

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CID 90994194
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Frequently Asked Questions

What is the IUPAC name of carbonoperoxoic acid;prop-1-ene?
The IUPAC name of carbonoperoxoic acid;prop-1-ene (CID 134330161) is carbonoperoxoic acid;prop-1-ene.
What is the SMILES notation for carbonoperoxoic acid;prop-1-ene?
The canonical SMILES for carbonoperoxoic acid;prop-1-ene is C=CC.O=C(O)OO.
What is the InChIKey of carbonoperoxoic acid;prop-1-ene?
The InChIKey is RQPHYTQFLGQXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6.CH2O4/c1-3-2;2-1(3)5-4/h3H,1H2,2H3;4H,(H,2,3).
What are the key properties of carbonoperoxoic acid;prop-1-ene?
carbonoperoxoic acid;prop-1-ene has a molecular weight of 120.10 g/mol, XLogP of 1.35, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonoperoxoic acid;prop-1-ene is sourced from PubChem (CID 134330161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).