2-(prop-2-enoxymethyl)oxirane;toluene

C13H18O2 — CID 174817749

IUPAC2-(prop-2-enoxymethyl)oxirane;toluene
SMILESC=CCOCC1CO1.Cc1ccccc1
InChIInChI=1S/C7H8.C6H10O2/c1-7-5-3-2-4-6-7;1-2-3-7-4-6-5-8-6/h2-6H,1H3;2,6H,1,3-5H2
InChIKeyKVZGPPGDRHPSDU-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.58
Rot. Bonds4

About 2-(prop-2-enoxymethyl)oxirane;toluene

2-(prop-2-enoxymethyl)oxirane;toluene (PubChem CID 174817749) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2-(prop-2-enoxymethyl)oxirane;toluene.

Molecular Properties

Compound Name2-(prop-2-enoxymethyl)oxirane;toluene
PubChem CID174817749
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name2-(prop-2-enoxymethyl)oxirane;toluene
SMILESC=CCOCC1CO1.Cc1ccccc1
InChIInChI=1S/C7H8.C6H10O2/c1-7-5-3-2-4-6-7;1-2-3-7-4-6-5-8-6/h2-6H,1H3;2,6H,1,3-5H2
InChIKeyKVZGPPGDRHPSDU-UHFFFAOYSA-N
XLogP2.58
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-(prop-2-enoxymethyl)oxirane;toluene?
The IUPAC name of 2-(prop-2-enoxymethyl)oxirane;toluene (CID 174817749) is 2-(prop-2-enoxymethyl)oxirane;toluene.
What is the SMILES notation for 2-(prop-2-enoxymethyl)oxirane;toluene?
The canonical SMILES for 2-(prop-2-enoxymethyl)oxirane;toluene is C=CCOCC1CO1.Cc1ccccc1.
What is the InChIKey of 2-(prop-2-enoxymethyl)oxirane;toluene?
The InChIKey is KVZGPPGDRHPSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C6H10O2/c1-7-5-3-2-4-6-7;1-2-3-7-4-6-5-8-6/h2-6H,1H3;2,6H,1,3-5H2.
What are the key properties of 2-(prop-2-enoxymethyl)oxirane;toluene?
2-(prop-2-enoxymethyl)oxirane;toluene has a molecular weight of 206.28 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enoxymethyl)oxirane;toluene is sourced from PubChem (CID 174817749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).