2-(4-ethyl-2-prop-2-enoyloxyoctoxy)ethyl prop-2-enoate

C18H30O5 — CID 163216514

IUPAC2-(4-ethyl-2-prop-2-enoyloxyoctoxy)ethyl prop-2-enoate
SMILESC=CC(=O)OCCOCC(CC(CC)CCCC)OC(=O)C=C
InChIInChI=1S/C18H30O5/c1-5-9-10-15(6-2)13-16(23-18(20)8-4)14-21-11-12-22-17(19)7-3/h7-8,15-16H,3-6,9-14H2,1-2H3
InChIKeyHDMDYAZYUPLQAS-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.44
Rot. Bonds14

About 2-(4-ethyl-2-prop-2-enoyloxyoctoxy)ethyl prop-2-enoate

2-(4-ethyl-2-prop-2-enoyloxyoctoxy)ethyl prop-2-enoate (PubChem CID 163216514) has the molecular formula C18H30O5 and a molecular weight of 326.43 g/mol. Its IUPAC name is 2-(4-ethyl-2-prop-2-enoyloxyoctoxy)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(4-ethyl-2-prop-2-enoyloxyoctoxy)ethyl prop-2-enoate
PubChem CID163216514
Molecular FormulaC18H30O5
Molecular Weight326.43 g/mol
Exact Mass326.21
IUPAC Name2-(4-ethyl-2-prop-2-enoyloxyoctoxy)ethyl prop-2-enoate
SMILESC=CC(=O)OCCOCC(CC(CC)CCCC)OC(=O)C=C
InChIInChI=1S/C18H30O5/c1-5-9-10-15(6-2)13-16(23-18(20)8-4)14-21-11-12-22-17(19)7-3/h7-8,15-16H,3-6,9-14H2,1-2H3
InChIKeyHDMDYAZYUPLQAS-UHFFFAOYSA-N
XLogP3.44
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.44
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

5-ethylhexadecan-7-yl prop-2-enoate
CID 150115534
[(2S)-2-ethylhexyl] prop-2-enoate
CID 6994086
5-prop-2-enoyloxynonan-3-yl prop-2-enoate
CID 102116715
2-ethylhexyl prop-2-enoate;heptyl prop-2-enoate
CID 19881997
2-ethylhexyl prop-2-enoate;hexyl prop-2-enoate
CID 87522127
2-prop-2-enoyloxyheptyl prop-2-enoate
CID 123616440
(7-ethyl-2-methylundecan-4-yl) prop-2-enoate
CID 23496546
6-prop-2-enoyloxydodecyl prop-2-enoate
CID 151920559
tridecan-5-yl prop-2-enoate
CID 141073146
[(3S)-octan-3-yl] prop-2-enoate
CID 93001261
2-[2,3-bis(ethoxycarbonyloxy)propoxy]ethyl prop-2-enoate
CID 139834404
dodecan-3-yl prop-2-enoate
CID 543279

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2-prop-2-enoyloxyoctoxy)ethyl prop-2-enoate?
The IUPAC name of 2-(4-ethyl-2-prop-2-enoyloxyoctoxy)ethyl prop-2-enoate (CID 163216514) is 2-(4-ethyl-2-prop-2-enoyloxyoctoxy)ethyl prop-2-enoate.
What is the SMILES notation for 2-(4-ethyl-2-prop-2-enoyloxyoctoxy)ethyl prop-2-enoate?
The canonical SMILES for 2-(4-ethyl-2-prop-2-enoyloxyoctoxy)ethyl prop-2-enoate is C=CC(=O)OCCOCC(CC(CC)CCCC)OC(=O)C=C.
What is the InChIKey of 2-(4-ethyl-2-prop-2-enoyloxyoctoxy)ethyl prop-2-enoate?
The InChIKey is HDMDYAZYUPLQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O5/c1-5-9-10-15(6-2)13-16(23-18(20)8-4)14-21-11-12-22-17(19)7-3/h7-8,15-16H,3-6,9-14H2,1-2H3.
What are the key properties of 2-(4-ethyl-2-prop-2-enoyloxyoctoxy)ethyl prop-2-enoate?
2-(4-ethyl-2-prop-2-enoyloxyoctoxy)ethyl prop-2-enoate has a molecular weight of 326.43 g/mol, XLogP of 3.44, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2-prop-2-enoyloxyoctoxy)ethyl prop-2-enoate is sourced from PubChem (CID 163216514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).