prop-2-enoxymethyl 2-tritylprop-2-enoate

C26H24O3 — CID 66662871

IUPACprop-2-enoxymethyl 2-tritylprop-2-enoate
SMILESC=CCOCOC(=O)C(=C)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H24O3/c1-3-19-28-20-29-25(27)21(2)26(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h3-18H,1-2,19-20H2
InChIKeyJZQWSJBVNOEYCI-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.28
Rot. Bonds9

About prop-2-enoxymethyl 2-tritylprop-2-enoate

prop-2-enoxymethyl 2-tritylprop-2-enoate (PubChem CID 66662871) has the molecular formula C26H24O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is prop-2-enoxymethyl 2-tritylprop-2-enoate.

Molecular Properties

Compound Nameprop-2-enoxymethyl 2-tritylprop-2-enoate
PubChem CID66662871
Molecular FormulaC26H24O3
Molecular Weight384.48 g/mol
Exact Mass384.17
IUPAC Nameprop-2-enoxymethyl 2-tritylprop-2-enoate
SMILESC=CCOCOC(=O)C(=C)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H24O3/c1-3-19-28-20-29-25(27)21(2)26(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h3-18H,1-2,19-20H2
InChIKeyJZQWSJBVNOEYCI-UHFFFAOYSA-N
XLogP5.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

Triphenylacetic Acid Methyl Ester
CID 231627
Ethyl 2,2,2-triphenylacetate
CID 231629
(e)-2,3,3-Triphenyl-acrylic acid ethyl ester
CID 3370883
Methyl 2-(biphenyl-4-yl)cyclohex-1-enecarboxylate
CID 44429204
Methyl 2-fluoro-3,3,3-triphenylpropanoate
CID 10914613
Methyl (4Z)-3,3-diphenylhex-4-enoate
CID 14338218
2,4,4-Triphenyl-2,3-butadienoic acid ethyl ester
CID 622582
Methyl 3,3,3-triphenylpropanoate
CID 10236650
2,3-Triphenyl-2-propenoic acid, methyl ester
CID 317523
ethyl (E)-3-fluoro-3-phenyl-2-[(4-phenylphenyl)methyl]prop-2-enoate
CID 162415934
methyl (3S)-3-fluoro-2-methylidene-5,5-diphenylpentanoate
CID 176439036
Ethyl 2-methylidene-4,4-diphenylbutanoate
CID 134833068

Frequently Asked Questions

What is the IUPAC name of prop-2-enoxymethyl 2-tritylprop-2-enoate?
The IUPAC name of prop-2-enoxymethyl 2-tritylprop-2-enoate (CID 66662871) is prop-2-enoxymethyl 2-tritylprop-2-enoate.
What is the SMILES notation for prop-2-enoxymethyl 2-tritylprop-2-enoate?
The canonical SMILES for prop-2-enoxymethyl 2-tritylprop-2-enoate is C=CCOCOC(=O)C(=C)C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of prop-2-enoxymethyl 2-tritylprop-2-enoate?
The InChIKey is JZQWSJBVNOEYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O3/c1-3-19-28-20-29-25(27)21(2)26(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h3-18H,1-2,19-20H2.
What are the key properties of prop-2-enoxymethyl 2-tritylprop-2-enoate?
prop-2-enoxymethyl 2-tritylprop-2-enoate has a molecular weight of 384.48 g/mol, XLogP of 5.28, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enoxymethyl 2-tritylprop-2-enoate is sourced from PubChem (CID 66662871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).