bis[(4-ethenylphenyl)methyl] hexanedioate

C24H26O4 — CID 23558427

IUPACbis[(4-ethenylphenyl)methyl] hexanedioate
SMILESC=Cc1ccc(COC(=O)CCCCC(=O)OCc2ccc(C=C)cc2)cc1
InChIInChI=1S/C24H26O4/c1-3-19-9-13-21(14-10-19)17-27-23(25)7-5-6-8-24(26)28-18-22-15-11-20(4-2)12-16-22/h3-4,9-16H,1-2,5-8,17-18H2
InChIKeyHKLXFAFJLLBBHT-UHFFFAOYSA-N
MW378.47 g/mol
LogP5.32
Rot. Bonds11

About bis[(4-ethenylphenyl)methyl] hexanedioate

bis[(4-ethenylphenyl)methyl] hexanedioate (PubChem CID 23558427) has the molecular formula C24H26O4 and a molecular weight of 378.47 g/mol. Its IUPAC name is bis[(4-ethenylphenyl)methyl] hexanedioate.

Molecular Properties

Compound Namebis[(4-ethenylphenyl)methyl] hexanedioate
PubChem CID23558427
Molecular FormulaC24H26O4
Molecular Weight378.47 g/mol
Exact Mass378.18
IUPAC Namebis[(4-ethenylphenyl)methyl] hexanedioate
SMILESC=Cc1ccc(COC(=O)CCCCC(=O)OCc2ccc(C=C)cc2)cc1
InChIInChI=1S/C24H26O4/c1-3-19-9-13-21(14-10-19)17-27-23(25)7-5-6-8-24(26)28-18-22-15-11-20(4-2)12-16-22/h3-4,9-16H,1-2,5-8,17-18H2
InChIKeyHKLXFAFJLLBBHT-UHFFFAOYSA-N
XLogP5.32
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.47
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4-ethenylphenyl)methyl 5-phenylpentanoate
CID 102362530
(2S)-2-amino-5-[(4-ethenylphenyl)methoxy]-5-oxopentanoic acid
CID 67951060
(4-ethenylphenyl)methyl 2-phenylacetate
CID 164760837
(2S)-2-amino-4-[(4-ethenylphenyl)methoxy]-4-oxobutanoic acid
CID 102125035
(4-ethenylphenyl)methyl 2-methylprop-2-enoate
CID 14794067
(4-ethenylphenyl)methyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate
CID 123196272
sodium 4-[8-[(4-ethenylphenyl)methoxy]octoxy]-4-oxobutanoate
CID 101246684
(4-ethenylphenyl)methyl cyclopentanecarboxylate
CID 175015138
bis[(4-ethenylphenyl)methyl] benzene-1,3-dicarboxylate
CID 71422704
1-O-ethyl 10-O-[(4-iodophenyl)methyl] decanedioate
CID 91735271
(4-ethenylphenyl)methyl 3-[4-[N-(3,4-dimethylphenyl)-4-[2-[4-[N-(3,4-dimethylphenyl)-4-[3-[(4-ethenylphenyl)methoxy]-3-oxopropyl]anilino]phenyl]ethyl]anilino]phenyl]propanoate
CID 89419347
(4-ethenylphenyl) acetate;(4-ethenylphenyl)methyl acetate
CID 158634660

Frequently Asked Questions

What is the IUPAC name of bis[(4-ethenylphenyl)methyl] hexanedioate?
The IUPAC name of bis[(4-ethenylphenyl)methyl] hexanedioate (CID 23558427) is bis[(4-ethenylphenyl)methyl] hexanedioate.
What is the SMILES notation for bis[(4-ethenylphenyl)methyl] hexanedioate?
The canonical SMILES for bis[(4-ethenylphenyl)methyl] hexanedioate is C=Cc1ccc(COC(=O)CCCCC(=O)OCc2ccc(C=C)cc2)cc1.
What is the InChIKey of bis[(4-ethenylphenyl)methyl] hexanedioate?
The InChIKey is HKLXFAFJLLBBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O4/c1-3-19-9-13-21(14-10-19)17-27-23(25)7-5-6-8-24(26)28-18-22-15-11-20(4-2)12-16-22/h3-4,9-16H,1-2,5-8,17-18H2.
What are the key properties of bis[(4-ethenylphenyl)methyl] hexanedioate?
bis[(4-ethenylphenyl)methyl] hexanedioate has a molecular weight of 378.47 g/mol, XLogP of 5.32, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(4-ethenylphenyl)methyl] hexanedioate is sourced from PubChem (CID 23558427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).