(3E)-3-[1-bromo-3-(4-bromophenyl)propylidene]-4-ethenyloxolane

C15H16Br2O — CID 134968290

IUPAC(3E)-3-[1-bromo-3-(4-bromophenyl)propylidene]-4-ethenyloxolane
SMILESC=CC1COC/C1=C(/Br)CCc1ccc(Br)cc1
InChIInChI=1S/C15H16Br2O/c1-2-12-9-18-10-14(12)15(17)8-5-11-3-6-13(16)7-4-11/h2-4,6-7,12H,1,5,8-10H2/b15-14-
InChIKeyAXPOKNKWHUKWRG-PFONDFGASA-N
MW372.10 g/mol
LogP4.86
Rot. Bonds4

About (3E)-3-[1-bromo-3-(4-bromophenyl)propylidene]-4-ethenyloxolane

(3E)-3-[1-bromo-3-(4-bromophenyl)propylidene]-4-ethenyloxolane (PubChem CID 134968290) has the molecular formula C15H16Br2O and a molecular weight of 372.10 g/mol. Its IUPAC name is (3E)-3-[1-bromo-3-(4-bromophenyl)propylidene]-4-ethenyloxolane.

Molecular Properties

Compound Name(3E)-3-[1-bromo-3-(4-bromophenyl)propylidene]-4-ethenyloxolane
PubChem CID134968290
Molecular FormulaC15H16Br2O
Molecular Weight372.10 g/mol
Exact Mass369.96
IUPAC Name(3E)-3-[1-bromo-3-(4-bromophenyl)propylidene]-4-ethenyloxolane
SMILESC=CC1COC/C1=C(/Br)CCc1ccc(Br)cc1
InChIInChI=1S/C15H16Br2O/c1-2-12-9-18-10-14(12)15(17)8-5-11-3-6-13(16)7-4-11/h2-4,6-7,12H,1,5,8-10H2/b15-14-
InChIKeyAXPOKNKWHUKWRG-PFONDFGASA-N
XLogP4.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.10
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3Z)-3-[bromo(phenyl)methylidene]-4-ethenyloxolane
CID 101486116
magnesium;1-bromo-4-(bromomethyl)benzene;1-bromo-4-non-8-enylbenzene;8-bromooct-1-ene;hydride;oxolane
CID 160707778
1-bromo-4-[2-(4-bromophenyl)ethyl]benzene
CID 12594240
formyl 3-(4-bromophenyl)propanoate
CID 89038057
2-[2-(4-bromophenyl)ethyl]-1,3-dioxolane
CID 118022362
3-(4-bromophenyl)-N-(oxan-4-yl)propanamide
CID 175666639
4-(4-bromophenyl)-2-oxobutanoic acid
CID 82380544
4-(4-bromophenyl)butan-2-one;ethane
CID 142922881
3-[2-(4-bromophenyl)ethoxy]oxane
CID 67606363
1-[3-(4-bromophenyl)propanoyl]-2,2-dimethylpiperidin-4-one
CID 115276092
(4R)-4-benzyl-3-[3-(4-bromophenyl)propanoyl]-1,3-oxazolidin-2-one
CID 57045887
2-[(4-bromophenyl)methyl]-1,3-dioxane
CID 67156103

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[1-bromo-3-(4-bromophenyl)propylidene]-4-ethenyloxolane?
The IUPAC name of (3E)-3-[1-bromo-3-(4-bromophenyl)propylidene]-4-ethenyloxolane (CID 134968290) is (3E)-3-[1-bromo-3-(4-bromophenyl)propylidene]-4-ethenyloxolane.
What is the SMILES notation for (3E)-3-[1-bromo-3-(4-bromophenyl)propylidene]-4-ethenyloxolane?
The canonical SMILES for (3E)-3-[1-bromo-3-(4-bromophenyl)propylidene]-4-ethenyloxolane is C=CC1COC/C1=C(/Br)CCc1ccc(Br)cc1.
What is the InChIKey of (3E)-3-[1-bromo-3-(4-bromophenyl)propylidene]-4-ethenyloxolane?
The InChIKey is AXPOKNKWHUKWRG-PFONDFGASA-N. The full InChI is InChI=1S/C15H16Br2O/c1-2-12-9-18-10-14(12)15(17)8-5-11-3-6-13(16)7-4-11/h2-4,6-7,12H,1,5,8-10H2/b15-14-.
What are the key properties of (3E)-3-[1-bromo-3-(4-bromophenyl)propylidene]-4-ethenyloxolane?
(3E)-3-[1-bromo-3-(4-bromophenyl)propylidene]-4-ethenyloxolane has a molecular weight of 372.10 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[1-bromo-3-(4-bromophenyl)propylidene]-4-ethenyloxolane is sourced from PubChem (CID 134968290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).