6-prop-2-enoyloxyhexyl (E)-3-(4-ethoxyphenyl)prop-2-enoate

C20H26O5 — CID 134454514

IUPAC6-prop-2-enoyloxyhexyl (E)-3-(4-ethoxyphenyl)prop-2-enoate
SMILESC=CC(=O)OCCCCCCOC(=O)/C=C/c1ccc(OCC)cc1
InChIInChI=1S/C20H26O5/c1-3-19(21)24-15-7-5-6-8-16-25-20(22)14-11-17-9-12-18(13-10-17)23-4-2/h3,9-14H,1,4-8,15-16H2,2H3/b14-11+
InChIKeyISGGCQAADISMQE-SDNWHVSQSA-N
MW346.42 g/mol
LogP3.93
Rot. Bonds12

About 6-prop-2-enoyloxyhexyl (E)-3-(4-ethoxyphenyl)prop-2-enoate

6-prop-2-enoyloxyhexyl (E)-3-(4-ethoxyphenyl)prop-2-enoate (PubChem CID 134454514) has the molecular formula C20H26O5 and a molecular weight of 346.42 g/mol. Its IUPAC name is 6-prop-2-enoyloxyhexyl (E)-3-(4-ethoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name6-prop-2-enoyloxyhexyl (E)-3-(4-ethoxyphenyl)prop-2-enoate
PubChem CID134454514
Molecular FormulaC20H26O5
Molecular Weight346.42 g/mol
Exact Mass346.18
IUPAC Name6-prop-2-enoyloxyhexyl (E)-3-(4-ethoxyphenyl)prop-2-enoate
SMILESC=CC(=O)OCCCCCCOC(=O)/C=C/c1ccc(OCC)cc1
InChIInChI=1S/C20H26O5/c1-3-19(21)24-15-7-5-6-8-16-25-20(22)14-11-17-9-12-18(13-10-17)23-4-2/h3,9-14H,1,4-8,15-16H2,2H3/b14-11+
InChIKeyISGGCQAADISMQE-SDNWHVSQSA-N
XLogP3.93
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[4-(12-prop-2-enoyloxydodecoxy)phenyl]prop-2-enoic acid
CID 67554557
(E)-3-[4-(4-prop-2-enoyloxybutoxy)phenyl]prop-2-enoic acid
CID 11208514
[4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]phenyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 101360108
4-[4-[4-(4-prop-2-enoyloxybutoxy)phenyl]phenoxy]butyl (E)-3-phenylprop-2-enoate
CID 102145573
cyclohexyl (E)-3-[4-(6-prop-2-enoyloxyhexoxy)phenyl]prop-2-enoate
CID 166880070
butyl 3-(4-propoxyphenyl)prop-2-enoate
CID 130331854
(4-prop-2-enoyloxyphenyl) (E)-3-(4-hexoxyphenyl)prop-2-enoate
CID 59668527
8-[4-[(E)-3-oxo-3-[3,6,7,10,11-pentakis[(E)-3-[4-(8-prop-2-enoyloxyoctoxy)phenyl]prop-2-enoyl]triphenylen-2-yl]prop-1-enyl]phenoxy]octyl prop-2-enoate
CID 18415590
octadecyl 3-[4-(3-octadecoxy-3-oxoprop-1-enyl)phenyl]prop-2-enoate
CID 54159184
6-(4-formylphenoxy)hexyl prop-2-enoate;methanol
CID 145059918
6-[4-(3-oxo-3-pentoxyprop-1-enyl)phenoxy]hexyl 2-methylprop-2-enoate
CID 67323026
6-[4-(3-hexadecoxy-3-oxoprop-1-enyl)phenoxy]hexyl 2-methylprop-2-enoate
CID 67323709

Frequently Asked Questions

What is the IUPAC name of 6-prop-2-enoyloxyhexyl (E)-3-(4-ethoxyphenyl)prop-2-enoate?
The IUPAC name of 6-prop-2-enoyloxyhexyl (E)-3-(4-ethoxyphenyl)prop-2-enoate (CID 134454514) is 6-prop-2-enoyloxyhexyl (E)-3-(4-ethoxyphenyl)prop-2-enoate.
What is the SMILES notation for 6-prop-2-enoyloxyhexyl (E)-3-(4-ethoxyphenyl)prop-2-enoate?
The canonical SMILES for 6-prop-2-enoyloxyhexyl (E)-3-(4-ethoxyphenyl)prop-2-enoate is C=CC(=O)OCCCCCCOC(=O)/C=C/c1ccc(OCC)cc1.
What is the InChIKey of 6-prop-2-enoyloxyhexyl (E)-3-(4-ethoxyphenyl)prop-2-enoate?
The InChIKey is ISGGCQAADISMQE-SDNWHVSQSA-N. The full InChI is InChI=1S/C20H26O5/c1-3-19(21)24-15-7-5-6-8-16-25-20(22)14-11-17-9-12-18(13-10-17)23-4-2/h3,9-14H,1,4-8,15-16H2,2H3/b14-11+.
What are the key properties of 6-prop-2-enoyloxyhexyl (E)-3-(4-ethoxyphenyl)prop-2-enoate?
6-prop-2-enoyloxyhexyl (E)-3-(4-ethoxyphenyl)prop-2-enoate has a molecular weight of 346.42 g/mol, XLogP of 3.93, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-prop-2-enoyloxyhexyl (E)-3-(4-ethoxyphenyl)prop-2-enoate is sourced from PubChem (CID 134454514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).