methyl (2Z)-2-(5,5-diphenyloxolan-2-ylidene)acetate

C19H18O3 — CID 10565723

IUPACmethyl (2Z)-2-(5,5-diphenyloxolan-2-ylidene)acetate
SMILESCOC(=O)/C=C1/CCC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C19H18O3/c1-21-18(20)14-17-12-13-19(22-17,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3/b17-14-
InChIKeyXJBRACUIVMLXME-VKAVYKQESA-N
MW294.35 g/mol
LogP3.80
Rot. Bonds3

About methyl (2Z)-2-(5,5-diphenyloxolan-2-ylidene)acetate

methyl (2Z)-2-(5,5-diphenyloxolan-2-ylidene)acetate (PubChem CID 10565723) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is methyl (2Z)-2-(5,5-diphenyloxolan-2-ylidene)acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-(5,5-diphenyloxolan-2-ylidene)acetate
PubChem CID10565723
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Namemethyl (2Z)-2-(5,5-diphenyloxolan-2-ylidene)acetate
SMILESCOC(=O)/C=C1/CCC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C19H18O3/c1-21-18(20)14-17-12-13-19(22-17,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3/b17-14-
InChIKeyXJBRACUIVMLXME-VKAVYKQESA-N
XLogP3.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 methyl (2Z)-2-(5,5-diphenyloxolan-2-ylidene)acetate?
The IUPAC name of methyl (2Z)-2-(5,5-diphenyloxolan-2-ylidene)acetate (CID 10565723) is methyl (2Z)-2-(5,5-diphenyloxolan-2-ylidene)acetate.
What is the SMILES notation for methyl (2Z)-2-(5,5-diphenyloxolan-2-ylidene)acetate?
The canonical SMILES for methyl (2Z)-2-(5,5-diphenyloxolan-2-ylidene)acetate is COC(=O)/C=C1/CCC(c2ccccc2)(c2ccccc2)O1.
What is the InChIKey of methyl (2Z)-2-(5,5-diphenyloxolan-2-ylidene)acetate?
The InChIKey is XJBRACUIVMLXME-VKAVYKQESA-N. The full InChI is InChI=1S/C19H18O3/c1-21-18(20)14-17-12-13-19(22-17,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3/b17-14-.
What are the key properties of methyl (2Z)-2-(5,5-diphenyloxolan-2-ylidene)acetate?
methyl (2Z)-2-(5,5-diphenyloxolan-2-ylidene)acetate has a molecular weight of 294.35 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-(5,5-diphenyloxolan-2-ylidene)acetate is sourced from PubChem (CID 10565723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).