ethyl 2-methylidene-4,4-diphenylbutanoate

C19H20O2 — CID 134833068

IUPACethyl 2-methylidene-4,4-diphenylbutanoate
SMILESC=C(CC(c1ccccc1)c1ccccc1)C(=O)OCC
InChIInChI=1S/C19H20O2/c1-3-21-19(20)15(2)14-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18H,2-3,14H2,1H3
InChIKeyJVCQRPVAOYJIMA-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.33
Rot. Bonds6

About ethyl 2-methylidene-4,4-diphenylbutanoate

ethyl 2-methylidene-4,4-diphenylbutanoate (PubChem CID 134833068) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is ethyl 2-methylidene-4,4-diphenylbutanoate.

Molecular Properties

Compound Nameethyl 2-methylidene-4,4-diphenylbutanoate
PubChem CID134833068
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Nameethyl 2-methylidene-4,4-diphenylbutanoate
SMILESC=C(CC(c1ccccc1)c1ccccc1)C(=O)OCC
InChIInChI=1S/C19H20O2/c1-3-21-19(20)15(2)14-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18H,2-3,14H2,1H3
InChIKeyJVCQRPVAOYJIMA-UHFFFAOYSA-N
XLogP4.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methylidene-4,4-diphenylbutanoate?
The IUPAC name of ethyl 2-methylidene-4,4-diphenylbutanoate (CID 134833068) is ethyl 2-methylidene-4,4-diphenylbutanoate.
What is the SMILES notation for ethyl 2-methylidene-4,4-diphenylbutanoate?
The canonical SMILES for ethyl 2-methylidene-4,4-diphenylbutanoate is C=C(CC(c1ccccc1)c1ccccc1)C(=O)OCC.
What is the InChIKey of ethyl 2-methylidene-4,4-diphenylbutanoate?
The InChIKey is JVCQRPVAOYJIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-3-21-19(20)15(2)14-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18H,2-3,14H2,1H3.
What are the key properties of ethyl 2-methylidene-4,4-diphenylbutanoate?
ethyl 2-methylidene-4,4-diphenylbutanoate has a molecular weight of 280.37 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methylidene-4,4-diphenylbutanoate is sourced from PubChem (CID 134833068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).