[(4R)-4-(4-ethenylbenzoyl)oxypentyl] 4-ethenylbenzoate

C23H24O4 — CID 101015957

IUPAC[(4R)-4-(4-ethenylbenzoyl)oxypentyl] 4-ethenylbenzoate
SMILESC=Cc1ccc(C(=O)OCCC[C@@H](C)OC(=O)c2ccc(C=C)cc2)cc1
InChIInChI=1S/C23H24O4/c1-4-18-8-12-20(13-9-18)22(24)26-16-6-7-17(3)27-23(25)21-14-10-19(5-2)11-15-21/h4-5,8-15,17H,1-2,6-7,16H2,3H3/t17-/m1/s1
InChIKeyJNKJETLWXCIPTP-QGZVFWFLSA-N
MW364.44 g/mol
LogP5.16
Rot. Bonds9

About [(4R)-4-(4-ethenylbenzoyl)oxypentyl] 4-ethenylbenzoate

[(4R)-4-(4-ethenylbenzoyl)oxypentyl] 4-ethenylbenzoate (PubChem CID 101015957) has the molecular formula C23H24O4 and a molecular weight of 364.44 g/mol. Its IUPAC name is [(4R)-4-(4-ethenylbenzoyl)oxypentyl] 4-ethenylbenzoate.

Molecular Properties

Compound Name[(4R)-4-(4-ethenylbenzoyl)oxypentyl] 4-ethenylbenzoate
PubChem CID101015957
Molecular FormulaC23H24O4
Molecular Weight364.44 g/mol
Exact Mass364.17
IUPAC Name[(4R)-4-(4-ethenylbenzoyl)oxypentyl] 4-ethenylbenzoate
SMILESC=Cc1ccc(C(=O)OCCC[C@@H](C)OC(=O)c2ccc(C=C)cc2)cc1
InChIInChI=1S/C23H24O4/c1-4-18-8-12-20(13-9-18)22(24)26-16-6-7-17(3)27-23(25)21-14-10-19(5-2)11-15-21/h4-5,8-15,17H,1-2,6-7,16H2,3H3/t17-/m1/s1
InChIKeyJNKJETLWXCIPTP-QGZVFWFLSA-N
XLogP5.16
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.44
LogP ≤ 55.16
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-O-heptan-2-yl 1-O-tridecyl benzene-1,4-dicarboxylate
CID 91724728
hexyl 4-ethenylbenzoate
CID 12541506
4-O-(5-methylhexan-2-yl) 1-O-pentyl benzene-1,4-dicarboxylate
CID 91735592
2-methoxyethyl 4-ethenylbenzoate
CID 58960727
5-bromopentyl 4-ethenylbenzoate
CID 54019940
4-(2-chloroethoxy)butyl 4-ethenylbenzoate
CID 57236268
[(1S,4S)-4-(4-ethenylbenzoyl)oxy-1,4-dihydroxybutyl] 4-ethenylbenzoate
CID 101349126
3-(4-aminobenzoyl)oxybutyl 4-aminobenzoate
CID 13188750
but-3-en-2-yl 4-ethenylbenzoate
CID 171922207
1-ethoxyethyl 4-ethenylbenzoate
CID 23124798
4-diethoxysilylbutyl 4-ethenylbenzoate
CID 175332741
2-prop-2-enoxyethyl 4-ethenylbenzoate
CID 58769638

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-(4-ethenylbenzoyl)oxypentyl] 4-ethenylbenzoate?
The IUPAC name of [(4R)-4-(4-ethenylbenzoyl)oxypentyl] 4-ethenylbenzoate (CID 101015957) is [(4R)-4-(4-ethenylbenzoyl)oxypentyl] 4-ethenylbenzoate.
What is the SMILES notation for [(4R)-4-(4-ethenylbenzoyl)oxypentyl] 4-ethenylbenzoate?
The canonical SMILES for [(4R)-4-(4-ethenylbenzoyl)oxypentyl] 4-ethenylbenzoate is C=Cc1ccc(C(=O)OCCC[C@@H](C)OC(=O)c2ccc(C=C)cc2)cc1.
What is the InChIKey of [(4R)-4-(4-ethenylbenzoyl)oxypentyl] 4-ethenylbenzoate?
The InChIKey is JNKJETLWXCIPTP-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H24O4/c1-4-18-8-12-20(13-9-18)22(24)26-16-6-7-17(3)27-23(25)21-14-10-19(5-2)11-15-21/h4-5,8-15,17H,1-2,6-7,16H2,3H3/t17-/m1/s1.
What are the key properties of [(4R)-4-(4-ethenylbenzoyl)oxypentyl] 4-ethenylbenzoate?
[(4R)-4-(4-ethenylbenzoyl)oxypentyl] 4-ethenylbenzoate has a molecular weight of 364.44 g/mol, XLogP of 5.16, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-(4-ethenylbenzoyl)oxypentyl] 4-ethenylbenzoate is sourced from PubChem (CID 101015957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).