2-ethenyl-3-methyl-5,5-diphenyloxane

C20H22O — CID 102152254

IUPAC2-ethenyl-3-methyl-5,5-diphenyloxane
SMILESC=CC1OCC(c2ccccc2)(c2ccccc2)CC1C
InChIInChI=1S/C20H22O/c1-3-19-16(2)14-20(15-21-19,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h3-13,16,19H,1,14-15H2,2H3
InChIKeyUUXVOKLYZRZAJH-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.58
Rot. Bonds3

About 2-ethenyl-3-methyl-5,5-diphenyloxane

2-ethenyl-3-methyl-5,5-diphenyloxane (PubChem CID 102152254) has the molecular formula C20H22O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-ethenyl-3-methyl-5,5-diphenyloxane.

Molecular Properties

Compound Name2-ethenyl-3-methyl-5,5-diphenyloxane
PubChem CID102152254
Molecular FormulaC20H22O
Molecular Weight278.40 g/mol
Exact Mass278.17
IUPAC Name2-ethenyl-3-methyl-5,5-diphenyloxane
SMILESC=CC1OCC(c2ccccc2)(c2ccccc2)CC1C
InChIInChI=1S/C20H22O/c1-3-19-16(2)14-20(15-21-19,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h3-13,16,19H,1,14-15H2,2H3
InChIKeyUUXVOKLYZRZAJH-UHFFFAOYSA-N
XLogP4.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-3-methyl-5,5-diphenyloxane?
The IUPAC name of 2-ethenyl-3-methyl-5,5-diphenyloxane (CID 102152254) is 2-ethenyl-3-methyl-5,5-diphenyloxane.
What is the SMILES notation for 2-ethenyl-3-methyl-5,5-diphenyloxane?
The canonical SMILES for 2-ethenyl-3-methyl-5,5-diphenyloxane is C=CC1OCC(c2ccccc2)(c2ccccc2)CC1C.
What is the InChIKey of 2-ethenyl-3-methyl-5,5-diphenyloxane?
The InChIKey is UUXVOKLYZRZAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O/c1-3-19-16(2)14-20(15-21-19,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h3-13,16,19H,1,14-15H2,2H3.
What are the key properties of 2-ethenyl-3-methyl-5,5-diphenyloxane?
2-ethenyl-3-methyl-5,5-diphenyloxane has a molecular weight of 278.40 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3-methyl-5,5-diphenyloxane is sourced from PubChem (CID 102152254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).