7-oxabicyclo[4.1.0]heptane;2-(phenoxymethyl)oxirane

C15H20O3 — CID 158637466

IUPAC7-oxabicyclo[4.1.0]heptane;2-(phenoxymethyl)oxirane
SMILESC1CCC2OC2C1.c1ccc(OCC2CO2)cc1
InChIInChI=1S/C9H10O2.C6H10O/c1-2-4-8(5-3-1)10-6-9-7-11-9;1-2-4-6-5(3-1)7-6/h1-5,9H,6-7H2;5-6H,1-4H2
InChIKeyHZYIZYHEPVBJJT-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.79
Rot. Bonds3

About 7-oxabicyclo[4.1.0]heptane;2-(phenoxymethyl)oxirane

7-oxabicyclo[4.1.0]heptane;2-(phenoxymethyl)oxirane (PubChem CID 158637466) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 7-oxabicyclo[4.1.0]heptane;2-(phenoxymethyl)oxirane.

Molecular Properties

Compound Name7-oxabicyclo[4.1.0]heptane;2-(phenoxymethyl)oxirane
PubChem CID158637466
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name7-oxabicyclo[4.1.0]heptane;2-(phenoxymethyl)oxirane
SMILESC1CCC2OC2C1.c1ccc(OCC2CO2)cc1
InChIInChI=1S/C9H10O2.C6H10O/c1-2-4-8(5-3-1)10-6-9-7-11-9;1-2-4-6-5(3-1)7-6/h1-5,9H,6-7H2;5-6H,1-4H2
InChIKeyHZYIZYHEPVBJJT-UHFFFAOYSA-N
XLogP2.79
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethene;2-(phenoxymethyl)oxirane
CID 135283522
ethane;tetrakis(2-(phenoxymethyl)oxirane)
CID 160621496
ethane;(2S)-2-(phenoxymethyl)oxirane
CID 164913694
carbanide;ethane;methane;tris(2-(phenoxymethyl)oxirane);bis(yttrium)
CID 162167972
1,1'-biphenyl;2-(phenoxymethyl)oxirane;propane
CID 90797707
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
bis(1,4-diethylbenzene);tris(2-(phenoxymethyl)oxirane)
CID 158955106
but-1-ene;2-(phenoxymethyl)oxirane
CID 142029605
ethane;methane;tris(2-(phenoxymethyl)oxirane);bis(tricyclo[5.2.1.02,6]decane)
CID 162107477
ethane;methane;tris(2-(phenoxymethyl)oxirane);bis(tricyclo[5.2.1.02,6]decane)
CID 158300388
2-[2-(2-phenoxyethoxy)ethoxymethyl]oxirane
CID 59687579
(2R)-2-[[4-[(E)-2-phenylethenyl]phenoxy]methyl]oxirane
CID 129392534

Frequently Asked Questions

What is the IUPAC name of 7-oxabicyclo[4.1.0]heptane;2-(phenoxymethyl)oxirane?
The IUPAC name of 7-oxabicyclo[4.1.0]heptane;2-(phenoxymethyl)oxirane (CID 158637466) is 7-oxabicyclo[4.1.0]heptane;2-(phenoxymethyl)oxirane.
What is the SMILES notation for 7-oxabicyclo[4.1.0]heptane;2-(phenoxymethyl)oxirane?
The canonical SMILES for 7-oxabicyclo[4.1.0]heptane;2-(phenoxymethyl)oxirane is C1CCC2OC2C1.c1ccc(OCC2CO2)cc1.
What is the InChIKey of 7-oxabicyclo[4.1.0]heptane;2-(phenoxymethyl)oxirane?
The InChIKey is HZYIZYHEPVBJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2.C6H10O/c1-2-4-8(5-3-1)10-6-9-7-11-9;1-2-4-6-5(3-1)7-6/h1-5,9H,6-7H2;5-6H,1-4H2.
What are the key properties of 7-oxabicyclo[4.1.0]heptane;2-(phenoxymethyl)oxirane?
7-oxabicyclo[4.1.0]heptane;2-(phenoxymethyl)oxirane has a molecular weight of 248.32 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxabicyclo[4.1.0]heptane;2-(phenoxymethyl)oxirane is sourced from PubChem (CID 158637466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).