[4-[2,3-bis(ethenyl)phenyl]-1-prop-2-enoyloxybutyl] prop-2-enoate

C20H22O4 — CID 139922774

IUPAC[4-[2,3-bis(ethenyl)phenyl]-1-prop-2-enoyloxybutyl] prop-2-enoate
SMILESC=CC(=O)OC(CCCc1cccc(C=C)c1C=C)OC(=O)C=C
InChIInChI=1S/C20H22O4/c1-5-15-11-9-12-16(17(15)6-2)13-10-14-20(23-18(21)7-3)24-19(22)8-4/h5-9,11-12,20H,1-4,10,13-14H2
InChIKeyIWMMQPFFXIQBOP-UHFFFAOYSA-N
MW326.39 g/mol
LogP4.08
Rot. Bonds10

About [4-[2,3-bis(ethenyl)phenyl]-1-prop-2-enoyloxybutyl] prop-2-enoate

[4-[2,3-bis(ethenyl)phenyl]-1-prop-2-enoyloxybutyl] prop-2-enoate (PubChem CID 139922774) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is [4-[2,3-bis(ethenyl)phenyl]-1-prop-2-enoyloxybutyl] prop-2-enoate.

Molecular Properties

Compound Name[4-[2,3-bis(ethenyl)phenyl]-1-prop-2-enoyloxybutyl] prop-2-enoate
PubChem CID139922774
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Name[4-[2,3-bis(ethenyl)phenyl]-1-prop-2-enoyloxybutyl] prop-2-enoate
SMILESC=CC(=O)OC(CCCc1cccc(C=C)c1C=C)OC(=O)C=C
InChIInChI=1S/C20H22O4/c1-5-15-11-9-12-16(17(15)6-2)13-10-14-20(23-18(21)7-3)24-19(22)8-4/h5-9,11-12,20H,1-4,10,13-14H2
InChIKeyIWMMQPFFXIQBOP-UHFFFAOYSA-N
XLogP4.08
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[3-ethenyl-2-(4-prop-2-enoyloxyhexyl)phenyl]hexan-3-yl prop-2-enoate
CID 168877641
1,2-bis(ethenyl)-3-octadecylbenzene
CID 18628258
CID 175541181
CID 175541181
(1-ethoxy-3-phenylpropyl) prop-2-enoate
CID 118662658
1-prop-2-enoyloxyheptyl prop-2-enoate
CID 54470865
1-prop-2-enoyloxydocosyl prop-2-enoate
CID 168863323
acetic acid;1-butyl-2-ethenylbenzene
CID 174903313
bis(1-prop-2-enoyloxypropyl) 3-(2-hydroxypropyl)benzene-1,2-dicarboxylate
CID 141450792
(2-hexadecylphenyl) prop-2-enoate
CID 141143244
(6,6-dimethyl-1-prop-2-enoyloxyheptyl) prop-2-enoate
CID 154418165
(1-chloro-3-phenylpropyl) prop-2-enoate
CID 174849887
1-naphthalen-1-yloxybutyl prop-2-enoate
CID 70262024

Frequently Asked Questions

What is the IUPAC name of [4-[2,3-bis(ethenyl)phenyl]-1-prop-2-enoyloxybutyl] prop-2-enoate?
The IUPAC name of [4-[2,3-bis(ethenyl)phenyl]-1-prop-2-enoyloxybutyl] prop-2-enoate (CID 139922774) is [4-[2,3-bis(ethenyl)phenyl]-1-prop-2-enoyloxybutyl] prop-2-enoate.
What is the SMILES notation for [4-[2,3-bis(ethenyl)phenyl]-1-prop-2-enoyloxybutyl] prop-2-enoate?
The canonical SMILES for [4-[2,3-bis(ethenyl)phenyl]-1-prop-2-enoyloxybutyl] prop-2-enoate is C=CC(=O)OC(CCCc1cccc(C=C)c1C=C)OC(=O)C=C.
What is the InChIKey of [4-[2,3-bis(ethenyl)phenyl]-1-prop-2-enoyloxybutyl] prop-2-enoate?
The InChIKey is IWMMQPFFXIQBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O4/c1-5-15-11-9-12-16(17(15)6-2)13-10-14-20(23-18(21)7-3)24-19(22)8-4/h5-9,11-12,20H,1-4,10,13-14H2.
What are the key properties of [4-[2,3-bis(ethenyl)phenyl]-1-prop-2-enoyloxybutyl] prop-2-enoate?
[4-[2,3-bis(ethenyl)phenyl]-1-prop-2-enoyloxybutyl] prop-2-enoate has a molecular weight of 326.39 g/mol, XLogP of 4.08, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2,3-bis(ethenyl)phenyl]-1-prop-2-enoyloxybutyl] prop-2-enoate is sourced from PubChem (CID 139922774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).