bis[(4-ethenylphenyl)methyl] 2,5-diacetylbenzene-1,4-dicarboxylate

C30H26O6 — CID 164789063

IUPACbis[(4-ethenylphenyl)methyl] 2,5-diacetylbenzene-1,4-dicarboxylate
SMILESC=Cc1ccc(COC(=O)c2cc(C(C)=O)c(C(=O)OCc3ccc(C=C)cc3)cc2C(C)=O)cc1
InChIInChI=1S/C30H26O6/c1-5-21-7-11-23(12-8-21)17-35-29(33)27-15-26(20(4)32)28(16-25(27)19(3)31)30(34)36-18-24-13-9-22(6-2)10-14-24/h5-16H,1-2,17-18H2,3-4H3
InChIKeyTZRMVLLMKNAUMW-UHFFFAOYSA-N
MW482.53 g/mol
LogP6.09
Rot. Bonds10

About bis[(4-ethenylphenyl)methyl] 2,5-diacetylbenzene-1,4-dicarboxylate

bis[(4-ethenylphenyl)methyl] 2,5-diacetylbenzene-1,4-dicarboxylate (PubChem CID 164789063) has the molecular formula C30H26O6 and a molecular weight of 482.53 g/mol. Its IUPAC name is bis[(4-ethenylphenyl)methyl] 2,5-diacetylbenzene-1,4-dicarboxylate.

Molecular Properties

Compound Namebis[(4-ethenylphenyl)methyl] 2,5-diacetylbenzene-1,4-dicarboxylate
PubChem CID164789063
Molecular FormulaC30H26O6
Molecular Weight482.53 g/mol
Exact Mass482.17
IUPAC Namebis[(4-ethenylphenyl)methyl] 2,5-diacetylbenzene-1,4-dicarboxylate
SMILESC=Cc1ccc(COC(=O)c2cc(C(C)=O)c(C(=O)OCc3ccc(C=C)cc3)cc2C(C)=O)cc1
InChIInChI=1S/C30H26O6/c1-5-21-7-11-23(12-8-21)17-35-29(33)27-15-26(20(4)32)28(16-25(27)19(3)31)30(34)36-18-24-13-9-22(6-2)10-14-24/h5-16H,1-2,17-18H2,3-4H3
InChIKeyTZRMVLLMKNAUMW-UHFFFAOYSA-N
XLogP6.09
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.53
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-ethenylphenyl)methyl 5-acetylthiophene-2-carboxylate
CID 172538888
2-[(4-ethenylphenyl)methoxycarbonyl]terephthalic acid
CID 54141811
bis[(4-ethenylphenyl)methyl] benzene-1,3-dicarboxylate
CID 71422704
(4-ethenylphenyl)methyl 2-methylprop-2-enoate
CID 14794067
(4-ethenylphenyl)methyl 4-methylsulfanylthiophene-3-carboxylate
CID 172538905
(4-ethenylphenyl) acetate;(4-ethenylphenyl)methyl acetate
CID 158634660
bis[(4-ethenylphenyl)methyl] hexanedioate
CID 23558427
(4-ethenylphenyl)methyl 4-(ethylamino)benzoate
CID 89090655
(4-ethenylphenyl)methyl 2,2-dimethylbutanoate
CID 20764938
(4-ethenylphenyl)methyl 4-ethoxycarbonyloxybenzoate
CID 122625881
(4-ethenylphenyl)methyl cyclopentanecarboxylate
CID 175015138
(4-ethenylphenyl)methyl 2-phenylacetate
CID 164760837

Frequently Asked Questions

What is the IUPAC name of bis[(4-ethenylphenyl)methyl] 2,5-diacetylbenzene-1,4-dicarboxylate?
The IUPAC name of bis[(4-ethenylphenyl)methyl] 2,5-diacetylbenzene-1,4-dicarboxylate (CID 164789063) is bis[(4-ethenylphenyl)methyl] 2,5-diacetylbenzene-1,4-dicarboxylate.
What is the SMILES notation for bis[(4-ethenylphenyl)methyl] 2,5-diacetylbenzene-1,4-dicarboxylate?
The canonical SMILES for bis[(4-ethenylphenyl)methyl] 2,5-diacetylbenzene-1,4-dicarboxylate is C=Cc1ccc(COC(=O)c2cc(C(C)=O)c(C(=O)OCc3ccc(C=C)cc3)cc2C(C)=O)cc1.
What is the InChIKey of bis[(4-ethenylphenyl)methyl] 2,5-diacetylbenzene-1,4-dicarboxylate?
The InChIKey is TZRMVLLMKNAUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26O6/c1-5-21-7-11-23(12-8-21)17-35-29(33)27-15-26(20(4)32)28(16-25(27)19(3)31)30(34)36-18-24-13-9-22(6-2)10-14-24/h5-16H,1-2,17-18H2,3-4H3.
What are the key properties of bis[(4-ethenylphenyl)methyl] 2,5-diacetylbenzene-1,4-dicarboxylate?
bis[(4-ethenylphenyl)methyl] 2,5-diacetylbenzene-1,4-dicarboxylate has a molecular weight of 482.53 g/mol, XLogP of 6.09, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(4-ethenylphenyl)methyl] 2,5-diacetylbenzene-1,4-dicarboxylate is sourced from PubChem (CID 164789063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).