2-methylidene-3-[[(Z)-prop-1-enyl]peroxymethyl]oxirane

C7H10O3 — CID 140656293

IUPAC2-methylidene-3-[[(Z)-prop-1-enyl]peroxymethyl]oxirane
SMILESC=C1OC1COO/C=C\C
InChIInChI=1S/C7H10O3/c1-3-4-8-9-5-7-6(2)10-7/h3-4,7H,2,5H2,1H3/b4-3-
InChIKeyFTCJRTDJICYFRB-ARJAWSKDSA-N
MW142.15 g/mol
LogP1.38
Rot. Bonds4

About 2-methylidene-3-[[(Z)-prop-1-enyl]peroxymethyl]oxirane

2-methylidene-3-[[(Z)-prop-1-enyl]peroxymethyl]oxirane (PubChem CID 140656293) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 2-methylidene-3-[[(Z)-prop-1-enyl]peroxymethyl]oxirane.

Molecular Properties

Compound Name2-methylidene-3-[[(Z)-prop-1-enyl]peroxymethyl]oxirane
PubChem CID140656293
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name2-methylidene-3-[[(Z)-prop-1-enyl]peroxymethyl]oxirane
SMILESC=C1OC1COO/C=C\C
InChIInChI=1S/C7H10O3/c1-3-4-8-9-5-7-6(2)10-7/h3-4,7H,2,5H2,1H3/b4-3-
InChIKeyFTCJRTDJICYFRB-ARJAWSKDSA-N
XLogP1.38
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-3-[[(Z)-prop-1-enyl]peroxymethyl]oxirane?
The IUPAC name of 2-methylidene-3-[[(Z)-prop-1-enyl]peroxymethyl]oxirane (CID 140656293) is 2-methylidene-3-[[(Z)-prop-1-enyl]peroxymethyl]oxirane.
What is the SMILES notation for 2-methylidene-3-[[(Z)-prop-1-enyl]peroxymethyl]oxirane?
The canonical SMILES for 2-methylidene-3-[[(Z)-prop-1-enyl]peroxymethyl]oxirane is C=C1OC1COO/C=C\C.
What is the InChIKey of 2-methylidene-3-[[(Z)-prop-1-enyl]peroxymethyl]oxirane?
The InChIKey is FTCJRTDJICYFRB-ARJAWSKDSA-N. The full InChI is InChI=1S/C7H10O3/c1-3-4-8-9-5-7-6(2)10-7/h3-4,7H,2,5H2,1H3/b4-3-.
What are the key properties of 2-methylidene-3-[[(Z)-prop-1-enyl]peroxymethyl]oxirane?
2-methylidene-3-[[(Z)-prop-1-enyl]peroxymethyl]oxirane has a molecular weight of 142.15 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-3-[[(Z)-prop-1-enyl]peroxymethyl]oxirane is sourced from PubChem (CID 140656293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).