bis[[4-(2-methoxyethoxy)phenyl]methyl] 2-ethenylbenzene-1,4-dicarboxylate

C30H32O8 — CID 122380494

IUPACbis[[4-(2-methoxyethoxy)phenyl]methyl] 2-ethenylbenzene-1,4-dicarboxylate
SMILESC=Cc1cc(C(=O)OCc2ccc(OCCOC)cc2)ccc1C(=O)OCc1ccc(OCCOC)cc1
InChIInChI=1S/C30H32O8/c1-4-24-19-25(29(31)37-20-22-5-10-26(11-6-22)35-17-15-33-2)9-14-28(24)30(32)38-21-23-7-12-27(13-8-23)36-18-16-34-3/h4-14,19H,1,15-18,20-21H2,2-3H3
InChIKeyWDYHCBRSDAOHEC-UHFFFAOYSA-N
MW520.58 g/mol
LogP5.09
Rot. Bonds15

About bis[[4-(2-methoxyethoxy)phenyl]methyl] 2-ethenylbenzene-1,4-dicarboxylate

bis[[4-(2-methoxyethoxy)phenyl]methyl] 2-ethenylbenzene-1,4-dicarboxylate (PubChem CID 122380494) has the molecular formula C30H32O8 and a molecular weight of 520.58 g/mol. Its IUPAC name is bis[[4-(2-methoxyethoxy)phenyl]methyl] 2-ethenylbenzene-1,4-dicarboxylate.

Molecular Properties

Compound Namebis[[4-(2-methoxyethoxy)phenyl]methyl] 2-ethenylbenzene-1,4-dicarboxylate
PubChem CID122380494
Molecular FormulaC30H32O8
Molecular Weight520.58 g/mol
Exact Mass520.21
IUPAC Namebis[[4-(2-methoxyethoxy)phenyl]methyl] 2-ethenylbenzene-1,4-dicarboxylate
SMILESC=Cc1cc(C(=O)OCc2ccc(OCCOC)cc2)ccc1C(=O)OCc1ccc(OCCOC)cc1
InChIInChI=1S/C30H32O8/c1-4-24-19-25(29(31)37-20-22-5-10-26(11-6-22)35-17-15-33-2)9-14-28(24)30(32)38-21-23-7-12-27(13-8-23)36-18-16-34-3/h4-14,19H,1,15-18,20-21H2,2-3H3
InChIKeyWDYHCBRSDAOHEC-UHFFFAOYSA-N
XLogP5.09
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.58
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[4-[2-[4-(benzoyloxymethyl)phenoxy]ethoxy]phenyl]methyl benzoate
CID 175261342
bis(4-tetradecoxyphenyl) 2-ethenylbenzene-1,4-dicarboxylate
CID 102308010
methyl 2-ethenyl-4-[(3-ethenylbenzoyl)oxymethyl]benzoate
CID 130411300
benzyl 2-ethenyl-4-methylbenzoate
CID 172649011
butyl 4-(4-butoxyphenyl)-3-ethenylbenzoate
CID 102525207
(4-hydroxyphenyl)methyl 4-prop-2-enoxybenzoate
CID 175436244
bis(4-pentylphenyl) 2-ethenylbenzene-1,4-dicarboxylate
CID 100942590
bis[(4-ethenylphenyl)methyl] benzene-1,3-dicarboxylate
CID 71422704
benzyl 3-ethenyl-4-(methylideneamino)benzoate
CID 168935326
(4-methoxycarbonylphenyl)methyl 2-(2-phenoxyethoxy)benzoate
CID 2379646
(4-ethenylphenyl)methyl 3,4,5-tris[(4-tetradecoxyphenyl)methoxy]benzoate
CID 100914145
3-O-benzyl 1-O-methyl 5-ethenyl-4-prop-2-enoxybenzene-1,3-dicarboxylate
CID 123907791

Frequently Asked Questions

What is the IUPAC name of bis[[4-(2-methoxyethoxy)phenyl]methyl] 2-ethenylbenzene-1,4-dicarboxylate?
The IUPAC name of bis[[4-(2-methoxyethoxy)phenyl]methyl] 2-ethenylbenzene-1,4-dicarboxylate (CID 122380494) is bis[[4-(2-methoxyethoxy)phenyl]methyl] 2-ethenylbenzene-1,4-dicarboxylate.
What is the SMILES notation for bis[[4-(2-methoxyethoxy)phenyl]methyl] 2-ethenylbenzene-1,4-dicarboxylate?
The canonical SMILES for bis[[4-(2-methoxyethoxy)phenyl]methyl] 2-ethenylbenzene-1,4-dicarboxylate is C=Cc1cc(C(=O)OCc2ccc(OCCOC)cc2)ccc1C(=O)OCc1ccc(OCCOC)cc1.
What is the InChIKey of bis[[4-(2-methoxyethoxy)phenyl]methyl] 2-ethenylbenzene-1,4-dicarboxylate?
The InChIKey is WDYHCBRSDAOHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32O8/c1-4-24-19-25(29(31)37-20-22-5-10-26(11-6-22)35-17-15-33-2)9-14-28(24)30(32)38-21-23-7-12-27(13-8-23)36-18-16-34-3/h4-14,19H,1,15-18,20-21H2,2-3H3.
What are the key properties of bis[[4-(2-methoxyethoxy)phenyl]methyl] 2-ethenylbenzene-1,4-dicarboxylate?
bis[[4-(2-methoxyethoxy)phenyl]methyl] 2-ethenylbenzene-1,4-dicarboxylate has a molecular weight of 520.58 g/mol, XLogP of 5.09, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis[[4-(2-methoxyethoxy)phenyl]methyl] 2-ethenylbenzene-1,4-dicarboxylate is sourced from PubChem (CID 122380494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).