methane;bis(2-(phenoxymethyl)oxirane)

C19H24O4 — CID 175391362

IUPACmethane;bis(2-(phenoxymethyl)oxirane)
SMILESC.c1ccc(OCC2CO2)cc1.c1ccc(OCC2CO2)cc1
InChIInChI=1S/2C9H10O2.CH4/c2*1-2-4-8(5-3-1)10-6-9-7-11-9;/h2*1-5,9H,6-7H2;1H4
InChIKeyBZPMAUMBAIJRFX-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.56
Rot. Bonds6

About methane;bis(2-(phenoxymethyl)oxirane)

methane;bis(2-(phenoxymethyl)oxirane) (PubChem CID 175391362) has the molecular formula C19H24O4 and a molecular weight of 316.40 g/mol. Its IUPAC name is methane;bis(2-(phenoxymethyl)oxirane).

Molecular Properties

Compound Namemethane;bis(2-(phenoxymethyl)oxirane)
PubChem CID175391362
Molecular FormulaC19H24O4
Molecular Weight316.40 g/mol
Exact Mass316.17
IUPAC Namemethane;bis(2-(phenoxymethyl)oxirane)
SMILESC.c1ccc(OCC2CO2)cc1.c1ccc(OCC2CO2)cc1
InChIInChI=1S/2C9H10O2.CH4/c2*1-2-4-8(5-3-1)10-6-9-7-11-9;/h2*1-5,9H,6-7H2;1H4
InChIKeyBZPMAUMBAIJRFX-UHFFFAOYSA-N
XLogP3.56
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methane;bis(2-(phenoxymethyl)oxirane)?
The IUPAC name of methane;bis(2-(phenoxymethyl)oxirane) (CID 175391362) is methane;bis(2-(phenoxymethyl)oxirane).
What is the SMILES notation for methane;bis(2-(phenoxymethyl)oxirane)?
The canonical SMILES for methane;bis(2-(phenoxymethyl)oxirane) is C.c1ccc(OCC2CO2)cc1.c1ccc(OCC2CO2)cc1.
What is the InChIKey of methane;bis(2-(phenoxymethyl)oxirane)?
The InChIKey is BZPMAUMBAIJRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H10O2.CH4/c2*1-2-4-8(5-3-1)10-6-9-7-11-9;/h2*1-5,9H,6-7H2;1H4.
What are the key properties of methane;bis(2-(phenoxymethyl)oxirane)?
methane;bis(2-(phenoxymethyl)oxirane) has a molecular weight of 316.40 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;bis(2-(phenoxymethyl)oxirane) is sourced from PubChem (CID 175391362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).