[2-ethyl-2-[3-(2-methylprop-2-enoyloxymethyl)hexan-3-yloxy]pentyl] 2-methylprop-2-enoate

C22H38O5 — CID 54492830

IUPAC[2-ethyl-2-[3-(2-methylprop-2-enoyloxymethyl)hexan-3-yloxy]pentyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(CC)(CCC)OC(CC)(CCC)COC(=O)C(=C)C
InChIInChI=1S/C22H38O5/c1-9-13-21(11-3,15-25-19(23)17(5)6)27-22(12-4,14-10-2)16-26-20(24)18(7)8/h5,7,9-16H2,1-4,6,8H3
InChIKeyXWZCQYGJFYTTFX-UHFFFAOYSA-N
MW382.54 g/mol
LogP5.14
Rot. Bonds14

About [2-ethyl-2-[3-(2-methylprop-2-enoyloxymethyl)hexan-3-yloxy]pentyl] 2-methylprop-2-enoate

[2-ethyl-2-[3-(2-methylprop-2-enoyloxymethyl)hexan-3-yloxy]pentyl] 2-methylprop-2-enoate (PubChem CID 54492830) has the molecular formula C22H38O5 and a molecular weight of 382.54 g/mol. Its IUPAC name is [2-ethyl-2-[3-(2-methylprop-2-enoyloxymethyl)hexan-3-yloxy]pentyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-ethyl-2-[3-(2-methylprop-2-enoyloxymethyl)hexan-3-yloxy]pentyl] 2-methylprop-2-enoate
PubChem CID54492830
Molecular FormulaC22H38O5
Molecular Weight382.54 g/mol
Exact Mass382.27
IUPAC Name[2-ethyl-2-[3-(2-methylprop-2-enoyloxymethyl)hexan-3-yloxy]pentyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(CC)(CCC)OC(CC)(CCC)COC(=O)C(=C)C
InChIInChI=1S/C22H38O5/c1-9-13-21(11-3,15-25-19(23)17(5)6)27-22(12-4,14-10-2)16-26-20(24)18(7)8/h5,7,9-16H2,1-4,6,8H3
InChIKeyXWZCQYGJFYTTFX-UHFFFAOYSA-N
XLogP5.14
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.54
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-ethyl-2-[3-(2-methylprop-2-enoyloxymethyl)hexan-3-yloxy]pentyl] 2-methylprop-2-enoate with MolForge

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Related Compounds

Lowicryl HM-20
CID 174488
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Butyl 2-methylprop-2-enoate;2-ethylhexyl 2-methylprop-2-enoate
CID 19597009
2-Ethylhexyl methacrylate-giycidyl methacrylate
CID 86747971
2-Ethylhexyl prop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 157748636
4-Methyl-1,4-pentanediyl dimethacrylate
CID 19429011
Tert-butyl 2-methylprop-2-enoate;2-ethylhexyl 2-methylprop-2-enoate
CID 17805809
2-[6-[2-(2-Methylprop-2-enoyloxy)ethoxy]hexoxy]ethyl 2-methylprop-2-enoate
CID 19775897
[3-(Ethoxymethyl)-3-[2-(2-methylprop-2-enoyloxy)ethoxy]pentyl] 2-methylprop-2-enoate
CID 20064229
3,6,9,12-Tetraoxaoctadecan-1-yl 2-methylprop-2-enoate
CID 20449650
2-{2-[2-(Hexyloxy)ethoxy]ethoxy}ethyl 2-methylprop-2-enoate
CID 20449653

Frequently Asked Questions

What is the IUPAC name of [2-ethyl-2-[3-(2-methylprop-2-enoyloxymethyl)hexan-3-yloxy]pentyl] 2-methylprop-2-enoate?
The IUPAC name of [2-ethyl-2-[3-(2-methylprop-2-enoyloxymethyl)hexan-3-yloxy]pentyl] 2-methylprop-2-enoate (CID 54492830) is [2-ethyl-2-[3-(2-methylprop-2-enoyloxymethyl)hexan-3-yloxy]pentyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-ethyl-2-[3-(2-methylprop-2-enoyloxymethyl)hexan-3-yloxy]pentyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-ethyl-2-[3-(2-methylprop-2-enoyloxymethyl)hexan-3-yloxy]pentyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(CC)(CCC)OC(CC)(CCC)COC(=O)C(=C)C.
What is the InChIKey of [2-ethyl-2-[3-(2-methylprop-2-enoyloxymethyl)hexan-3-yloxy]pentyl] 2-methylprop-2-enoate?
The InChIKey is XWZCQYGJFYTTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O5/c1-9-13-21(11-3,15-25-19(23)17(5)6)27-22(12-4,14-10-2)16-26-20(24)18(7)8/h5,7,9-16H2,1-4,6,8H3.
What are the key properties of [2-ethyl-2-[3-(2-methylprop-2-enoyloxymethyl)hexan-3-yloxy]pentyl] 2-methylprop-2-enoate?
[2-ethyl-2-[3-(2-methylprop-2-enoyloxymethyl)hexan-3-yloxy]pentyl] 2-methylprop-2-enoate has a molecular weight of 382.54 g/mol, XLogP of 5.14, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-2-[3-(2-methylprop-2-enoyloxymethyl)hexan-3-yloxy]pentyl] 2-methylprop-2-enoate is sourced from PubChem (CID 54492830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).