oxiran-2-ylmethyl 2-(oxiran-2-ylmethyl)-3,3-diphenylprop-2-enoate

C21H20O4 — CID 87121058

IUPACoxiran-2-ylmethyl 2-(oxiran-2-ylmethyl)-3,3-diphenylprop-2-enoate
SMILESO=C(OCC1CO1)C(CC1CO1)=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20O4/c22-21(25-14-18-13-24-18)19(11-17-12-23-17)20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2
InChIKeyUPMCROPGQOLPNA-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.22
Rot. Bonds7

About oxiran-2-ylmethyl 2-(oxiran-2-ylmethyl)-3,3-diphenylprop-2-enoate

oxiran-2-ylmethyl 2-(oxiran-2-ylmethyl)-3,3-diphenylprop-2-enoate (PubChem CID 87121058) has the molecular formula C21H20O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is oxiran-2-ylmethyl 2-(oxiran-2-ylmethyl)-3,3-diphenylprop-2-enoate.

Molecular Properties

Compound Nameoxiran-2-ylmethyl 2-(oxiran-2-ylmethyl)-3,3-diphenylprop-2-enoate
PubChem CID87121058
Molecular FormulaC21H20O4
Molecular Weight336.39 g/mol
Exact Mass336.14
IUPAC Nameoxiran-2-ylmethyl 2-(oxiran-2-ylmethyl)-3,3-diphenylprop-2-enoate
SMILESO=C(OCC1CO1)C(CC1CO1)=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20O4/c22-21(25-14-18-13-24-18)19(11-17-12-23-17)20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2
InChIKeyUPMCROPGQOLPNA-UHFFFAOYSA-N
XLogP3.22
TPSA51.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2R,5S)-5-(benzoyloxymethyl)-1,4-dioxan-2-yl]methyl benzoate
CID 1040756
oxiran-2-ylmethyl benzenecarboperoxoate
CID 154251538
2-(oxiran-2-ylmethoxy)ethyl benzoate
CID 13013250
oxiran-2-ylmethyl 2-methyl-3-phenylpenta-2,4-dienoate
CID 174825427
benzyl oxiran-2-ylmethyl carbonate
CID 88672245
2-[(2R,4R)-2-(benzoyloxymethyl)-1,3-dioxolan-4-yl]acetic acid
CID 67215314
[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]methyl benzoate
CID 131847754
oxiran-2-ylmethyl 2-methylprop-2-enoate;phenylmethanamine
CID 175327746
2-[1-(oxiran-2-ylmethoxy)-1-oxobutan-2-ylidene]propanedioic acid
CID 87348796
oxiran-2-ylmethyl (E)-3-(2-ethenylphenyl)-2-methylprop-2-enoate
CID 139607372
oxiran-2-ylmethyl 2-(oxiran-2-yl)acetate
CID 22381567
1-O-(cyclopropylmethyl) 4-O-(oxiran-2-ylmethyl) benzene-1,4-dicarboxylate
CID 165037317

Frequently Asked Questions

What is the IUPAC name of oxiran-2-ylmethyl 2-(oxiran-2-ylmethyl)-3,3-diphenylprop-2-enoate?
The IUPAC name of oxiran-2-ylmethyl 2-(oxiran-2-ylmethyl)-3,3-diphenylprop-2-enoate (CID 87121058) is oxiran-2-ylmethyl 2-(oxiran-2-ylmethyl)-3,3-diphenylprop-2-enoate.
What is the SMILES notation for oxiran-2-ylmethyl 2-(oxiran-2-ylmethyl)-3,3-diphenylprop-2-enoate?
The canonical SMILES for oxiran-2-ylmethyl 2-(oxiran-2-ylmethyl)-3,3-diphenylprop-2-enoate is O=C(OCC1CO1)C(CC1CO1)=C(c1ccccc1)c1ccccc1.
What is the InChIKey of oxiran-2-ylmethyl 2-(oxiran-2-ylmethyl)-3,3-diphenylprop-2-enoate?
The InChIKey is UPMCROPGQOLPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O4/c22-21(25-14-18-13-24-18)19(11-17-12-23-17)20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2.
What are the key properties of oxiran-2-ylmethyl 2-(oxiran-2-ylmethyl)-3,3-diphenylprop-2-enoate?
oxiran-2-ylmethyl 2-(oxiran-2-ylmethyl)-3,3-diphenylprop-2-enoate has a molecular weight of 336.39 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxiran-2-ylmethyl 2-(oxiran-2-ylmethyl)-3,3-diphenylprop-2-enoate is sourced from PubChem (CID 87121058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).