2-[2-(2-prop-2-enylbenzoyl)oxyethoxy]ethyl 2-prop-2-enylbenzoate

C24H26O5 — CID 19842449

IUPAC2-[2-(2-prop-2-enylbenzoyl)oxyethoxy]ethyl 2-prop-2-enylbenzoate
SMILESC=CCc1ccccc1C(=O)OCCOCCOC(=O)c1ccccc1CC=C
InChIInChI=1S/C24H26O5/c1-3-9-19-11-5-7-13-21(19)23(25)28-17-15-27-16-18-29-24(26)22-14-8-6-12-20(22)10-4-2/h3-8,11-14H,1-2,9-10,15-18H2
InChIKeyMGEGBLBKBLUZLD-UHFFFAOYSA-N
MW394.47 g/mol
LogP4.17
Rot. Bonds12

About 2-[2-(2-prop-2-enylbenzoyl)oxyethoxy]ethyl 2-prop-2-enylbenzoate

2-[2-(2-prop-2-enylbenzoyl)oxyethoxy]ethyl 2-prop-2-enylbenzoate (PubChem CID 19842449) has the molecular formula C24H26O5 and a molecular weight of 394.47 g/mol. Its IUPAC name is 2-[2-(2-prop-2-enylbenzoyl)oxyethoxy]ethyl 2-prop-2-enylbenzoate.

Molecular Properties

Compound Name2-[2-(2-prop-2-enylbenzoyl)oxyethoxy]ethyl 2-prop-2-enylbenzoate
PubChem CID19842449
Molecular FormulaC24H26O5
Molecular Weight394.47 g/mol
Exact Mass394.18
IUPAC Name2-[2-(2-prop-2-enylbenzoyl)oxyethoxy]ethyl 2-prop-2-enylbenzoate
SMILESC=CCc1ccccc1C(=O)OCCOCCOC(=O)c1ccccc1CC=C
InChIInChI=1S/C24H26O5/c1-3-9-19-11-5-7-13-21(19)23(25)28-17-15-27-16-18-29-24(26)22-14-8-6-12-20(22)10-4-2/h3-8,11-14H,1-2,9-10,15-18H2
InChIKeyMGEGBLBKBLUZLD-UHFFFAOYSA-N
XLogP4.17
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-prop-2-enylbenzoic acid
CID 2752991
2-hexoxyethyl 2-propylbenzoate
CID 140608686
2-amino-1-(2-prop-2-enylphenyl)ethanone
CID 69248800
aluminum tris(2-prop-2-enylbenzoate)
CID 70137738
(2-hydroxyphenyl)-(2-prop-2-enylphenyl)methanone
CID 70545684
phenyl-(2-prop-2-enylphenyl)methanone
CID 12026554
bis(prop-2-enyl) benzene-1,2-dicarboxylate
CID 8560
ethyl 2-hydroxy-3-prop-2-enylbenzoate
CID 71331435
2-[2-[2-[2-(2-phenylbenzoyl)oxyethoxy]ethoxy]ethoxy]ethyl 2-phenylbenzoate
CID 23024567
2-acetyloxyethyl 2-ethylbenzoate
CID 91495650
(2Z)-2-hydrazinylidene-2-(2-prop-2-enylphenyl)acetic acid
CID 102059389
1-O-(2-buta-1,3-dien-2-yloxyethyl) 2-O-prop-2-enyl benzene-1,2-dicarboxylate
CID 89020444

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-prop-2-enylbenzoyl)oxyethoxy]ethyl 2-prop-2-enylbenzoate?
The IUPAC name of 2-[2-(2-prop-2-enylbenzoyl)oxyethoxy]ethyl 2-prop-2-enylbenzoate (CID 19842449) is 2-[2-(2-prop-2-enylbenzoyl)oxyethoxy]ethyl 2-prop-2-enylbenzoate.
What is the SMILES notation for 2-[2-(2-prop-2-enylbenzoyl)oxyethoxy]ethyl 2-prop-2-enylbenzoate?
The canonical SMILES for 2-[2-(2-prop-2-enylbenzoyl)oxyethoxy]ethyl 2-prop-2-enylbenzoate is C=CCc1ccccc1C(=O)OCCOCCOC(=O)c1ccccc1CC=C.
What is the InChIKey of 2-[2-(2-prop-2-enylbenzoyl)oxyethoxy]ethyl 2-prop-2-enylbenzoate?
The InChIKey is MGEGBLBKBLUZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O5/c1-3-9-19-11-5-7-13-21(19)23(25)28-17-15-27-16-18-29-24(26)22-14-8-6-12-20(22)10-4-2/h3-8,11-14H,1-2,9-10,15-18H2.
What are the key properties of 2-[2-(2-prop-2-enylbenzoyl)oxyethoxy]ethyl 2-prop-2-enylbenzoate?
2-[2-(2-prop-2-enylbenzoyl)oxyethoxy]ethyl 2-prop-2-enylbenzoate has a molecular weight of 394.47 g/mol, XLogP of 4.17, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-prop-2-enylbenzoyl)oxyethoxy]ethyl 2-prop-2-enylbenzoate is sourced from PubChem (CID 19842449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).