2-phenyloxirane;3-prop-2-enoxyprop-1-ene

C14H18O2 — CID 87729483

IUPAC2-phenyloxirane;3-prop-2-enoxyprop-1-ene
SMILESC=CCOCC=C.c1ccc(C2CO2)cc1
InChIInChI=1S/C8H8O.C6H10O/c1-2-4-7(5-3-1)8-6-9-8;1-3-5-7-6-4-2/h1-5,8H,6H2;3-4H,1-2,5-6H2
InChIKeyAXMGJKCEYFSYGZ-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.13
Rot. Bonds5

About 2-phenyloxirane;3-prop-2-enoxyprop-1-ene

2-phenyloxirane;3-prop-2-enoxyprop-1-ene (PubChem CID 87729483) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-phenyloxirane;3-prop-2-enoxyprop-1-ene.

Molecular Properties

Compound Name2-phenyloxirane;3-prop-2-enoxyprop-1-ene
PubChem CID87729483
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name2-phenyloxirane;3-prop-2-enoxyprop-1-ene
SMILESC=CCOCC=C.c1ccc(C2CO2)cc1
InChIInChI=1S/C8H8O.C6H10O/c1-2-4-7(5-3-1)8-6-9-8;1-3-5-7-6-4-2/h1-5,8H,6H2;3-4H,1-2,5-6H2
InChIKeyAXMGJKCEYFSYGZ-UHFFFAOYSA-N
XLogP3.13
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.13
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-phenyloxirane;3-prop-2-enoxyprop-1-ene?
The IUPAC name of 2-phenyloxirane;3-prop-2-enoxyprop-1-ene (CID 87729483) is 2-phenyloxirane;3-prop-2-enoxyprop-1-ene.
What is the SMILES notation for 2-phenyloxirane;3-prop-2-enoxyprop-1-ene?
The canonical SMILES for 2-phenyloxirane;3-prop-2-enoxyprop-1-ene is C=CCOCC=C.c1ccc(C2CO2)cc1.
What is the InChIKey of 2-phenyloxirane;3-prop-2-enoxyprop-1-ene?
The InChIKey is AXMGJKCEYFSYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O.C6H10O/c1-2-4-7(5-3-1)8-6-9-8;1-3-5-7-6-4-2/h1-5,8H,6H2;3-4H,1-2,5-6H2.
What are the key properties of 2-phenyloxirane;3-prop-2-enoxyprop-1-ene?
2-phenyloxirane;3-prop-2-enoxyprop-1-ene has a molecular weight of 218.30 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyloxirane;3-prop-2-enoxyprop-1-ene is sourced from PubChem (CID 87729483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).