2-(4-ethyl-4-prop-2-enoyloxyhexan-3-yl)oxyethyl prop-2-enoate

C16H26O5 — CID 150676668

IUPAC2-(4-ethyl-4-prop-2-enoyloxyhexan-3-yl)oxyethyl prop-2-enoate
SMILESC=CC(=O)OCCOC(CC)C(CC)(CC)OC(=O)C=C
InChIInChI=1S/C16H26O5/c1-6-13(19-11-12-20-14(17)7-2)16(9-4,10-5)21-15(18)8-3/h7-8,13H,2-3,6,9-12H2,1,4-5H3
InChIKeyJHAMGZMFLGLYLU-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.80
Rot. Bonds11

About 2-(4-ethyl-4-prop-2-enoyloxyhexan-3-yl)oxyethyl prop-2-enoate

2-(4-ethyl-4-prop-2-enoyloxyhexan-3-yl)oxyethyl prop-2-enoate (PubChem CID 150676668) has the molecular formula C16H26O5 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-(4-ethyl-4-prop-2-enoyloxyhexan-3-yl)oxyethyl prop-2-enoate.

Molecular Properties

Compound Name2-(4-ethyl-4-prop-2-enoyloxyhexan-3-yl)oxyethyl prop-2-enoate
PubChem CID150676668
Molecular FormulaC16H26O5
Molecular Weight298.38 g/mol
Exact Mass298.18
IUPAC Name2-(4-ethyl-4-prop-2-enoyloxyhexan-3-yl)oxyethyl prop-2-enoate
SMILESC=CC(=O)OCCOC(CC)C(CC)(CC)OC(=O)C=C
InChIInChI=1S/C16H26O5/c1-6-13(19-11-12-20-14(17)7-2)16(9-4,10-5)21-15(18)8-3/h7-8,13H,2-3,6,9-12H2,1,4-5H3
InChIKeyJHAMGZMFLGLYLU-UHFFFAOYSA-N
XLogP2.80
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.80
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-diethylhexan-3-yl prop-2-enoate
CID 175395988
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
(3-methyl-3-prop-2-enoyloxybutan-2-yl) prop-2-enoate;propyl prop-2-enoate
CID 159133201
2-[1-[5-[1-(2-prop-2-enoyloxyethoxy)ethoxy]pentoxy]ethoxy]ethyl prop-2-enoate
CID 140791658
(2-amino-3-hydroxypentan-3-yl) prop-2-enoate
CID 154432849
2-[2-[2-[2-[2-[2-[2,2-bis[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 173016029
(3-methyl-3-prop-2-enoyloxybutyl) prop-2-enoate
CID 19428987
2-[2-(1-ethenoxypropan-2-yloxy)ethoxy]ethyl prop-2-enoate
CID 165147394
2-[2,2-bis(2-prop-2-enoyloxyethoxymethyl)butoxy]ethyl prop-2-enoate;2-[2-(2-hydroxyethoxymethyl)-2-(2-prop-2-enoyloxyethoxymethyl)butoxy]ethyl prop-2-enoate
CID 158223909
(3-ethyl-4-silyloxysilylhexan-3-yl) prop-2-enoate
CID 173125451
2-(1-triethoxysilylethoxy)ethyl prop-2-enoate
CID 175059321
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]ethyl prop-2-enoate
CID 135130326

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-4-prop-2-enoyloxyhexan-3-yl)oxyethyl prop-2-enoate?
The IUPAC name of 2-(4-ethyl-4-prop-2-enoyloxyhexan-3-yl)oxyethyl prop-2-enoate (CID 150676668) is 2-(4-ethyl-4-prop-2-enoyloxyhexan-3-yl)oxyethyl prop-2-enoate.
What is the SMILES notation for 2-(4-ethyl-4-prop-2-enoyloxyhexan-3-yl)oxyethyl prop-2-enoate?
The canonical SMILES for 2-(4-ethyl-4-prop-2-enoyloxyhexan-3-yl)oxyethyl prop-2-enoate is C=CC(=O)OCCOC(CC)C(CC)(CC)OC(=O)C=C.
What is the InChIKey of 2-(4-ethyl-4-prop-2-enoyloxyhexan-3-yl)oxyethyl prop-2-enoate?
The InChIKey is JHAMGZMFLGLYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O5/c1-6-13(19-11-12-20-14(17)7-2)16(9-4,10-5)21-15(18)8-3/h7-8,13H,2-3,6,9-12H2,1,4-5H3.
What are the key properties of 2-(4-ethyl-4-prop-2-enoyloxyhexan-3-yl)oxyethyl prop-2-enoate?
2-(4-ethyl-4-prop-2-enoyloxyhexan-3-yl)oxyethyl prop-2-enoate has a molecular weight of 298.38 g/mol, XLogP of 2.80, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-4-prop-2-enoyloxyhexan-3-yl)oxyethyl prop-2-enoate is sourced from PubChem (CID 150676668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).