[2-ethyl-2-[1-(2-methylprop-2-enoyloxy)-2-(2-methylprop-2-enoyloxymethyl)butan-2-yl]oxypentyl] 2-methylprop-2-enoate

C24H38O7 — CID 54246492

IUPAC[2-ethyl-2-[1-(2-methylprop-2-enoyloxy)-2-(2-methylprop-2-enoyloxymethyl)butan-2-yl]oxypentyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(CC)(CCC)OC(CC)(COC(=O)C(=C)C)COC(=O)C(=C)C
InChIInChI=1S/C24H38O7/c1-10-13-23(11-2,14-28-20(25)17(4)5)31-24(12-3,15-29-21(26)18(6)7)16-30-22(27)19(8)9/h4,6,8,10-16H2,1-3,5,7,9H3
InChIKeyQTQCVIKBYNBKKA-UHFFFAOYSA-N
MW438.56 g/mol
LogP4.46
Rot. Bonds15

About [2-ethyl-2-[1-(2-methylprop-2-enoyloxy)-2-(2-methylprop-2-enoyloxymethyl)butan-2-yl]oxypentyl] 2-methylprop-2-enoate

[2-ethyl-2-[1-(2-methylprop-2-enoyloxy)-2-(2-methylprop-2-enoyloxymethyl)butan-2-yl]oxypentyl] 2-methylprop-2-enoate (PubChem CID 54246492) has the molecular formula C24H38O7 and a molecular weight of 438.56 g/mol. Its IUPAC name is [2-ethyl-2-[1-(2-methylprop-2-enoyloxy)-2-(2-methylprop-2-enoyloxymethyl)butan-2-yl]oxypentyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-ethyl-2-[1-(2-methylprop-2-enoyloxy)-2-(2-methylprop-2-enoyloxymethyl)butan-2-yl]oxypentyl] 2-methylprop-2-enoate
PubChem CID54246492
Molecular FormulaC24H38O7
Molecular Weight438.56 g/mol
Exact Mass438.26
IUPAC Name[2-ethyl-2-[1-(2-methylprop-2-enoyloxy)-2-(2-methylprop-2-enoyloxymethyl)butan-2-yl]oxypentyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(CC)(CCC)OC(CC)(COC(=O)C(=C)C)COC(=O)C(=C)C
InChIInChI=1S/C24H38O7/c1-10-13-23(11-2,14-28-20(25)17(4)5)31-24(12-3,15-29-21(26)18(6)7)16-30-22(27)19(8)9/h4,6,8,10-16H2,1-3,5,7,9H3
InChIKeyQTQCVIKBYNBKKA-UHFFFAOYSA-N
XLogP4.46
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.56
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-Ethylhexyl 2-methylprop-2-enoate;2-methylpropyl 2-methylprop-2-enoate
CID 89923685
2-Propenoic acid, 2-methyl-, 1,1'-(2-ethyl-1-propyl-1,3-propanediyl) ester
CID 106998
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
Tert-butyl 2-methylprop-2-enoate;2-ethylhexyl 2-methylprop-2-enoate
CID 17805809
[4-Methyl-4-[2-methyl-4-(2-methylprop-2-enoyloxy)pentan-2-yl]peroxypentan-2-yl] 2-methylprop-2-enoate
CID 18986431
2-[1-(2-Methylprop-2-enoyloxy)ethyl]hexyl 2-methylprop-2-enoate
CID 19391086
[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-[3,3-Bis[1-(2-methylprop-2-enoyloxy)propan-2-yloxymethyl]pentoxy]propyl 2-methylprop-2-enoate
CID 20872981
2-[3,3-Bis[2-(2-methylprop-2-enoyloxy)ethoxymethyl]pentoxy]ethyl 2-methylprop-2-enoate
CID 20872982

Frequently Asked Questions

What is the IUPAC name of [2-ethyl-2-[1-(2-methylprop-2-enoyloxy)-2-(2-methylprop-2-enoyloxymethyl)butan-2-yl]oxypentyl] 2-methylprop-2-enoate?
The IUPAC name of [2-ethyl-2-[1-(2-methylprop-2-enoyloxy)-2-(2-methylprop-2-enoyloxymethyl)butan-2-yl]oxypentyl] 2-methylprop-2-enoate (CID 54246492) is [2-ethyl-2-[1-(2-methylprop-2-enoyloxy)-2-(2-methylprop-2-enoyloxymethyl)butan-2-yl]oxypentyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-ethyl-2-[1-(2-methylprop-2-enoyloxy)-2-(2-methylprop-2-enoyloxymethyl)butan-2-yl]oxypentyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-ethyl-2-[1-(2-methylprop-2-enoyloxy)-2-(2-methylprop-2-enoyloxymethyl)butan-2-yl]oxypentyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(CC)(CCC)OC(CC)(COC(=O)C(=C)C)COC(=O)C(=C)C.
What is the InChIKey of [2-ethyl-2-[1-(2-methylprop-2-enoyloxy)-2-(2-methylprop-2-enoyloxymethyl)butan-2-yl]oxypentyl] 2-methylprop-2-enoate?
The InChIKey is QTQCVIKBYNBKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38O7/c1-10-13-23(11-2,14-28-20(25)17(4)5)31-24(12-3,15-29-21(26)18(6)7)16-30-22(27)19(8)9/h4,6,8,10-16H2,1-3,5,7,9H3.
What are the key properties of [2-ethyl-2-[1-(2-methylprop-2-enoyloxy)-2-(2-methylprop-2-enoyloxymethyl)butan-2-yl]oxypentyl] 2-methylprop-2-enoate?
[2-ethyl-2-[1-(2-methylprop-2-enoyloxy)-2-(2-methylprop-2-enoyloxymethyl)butan-2-yl]oxypentyl] 2-methylprop-2-enoate has a molecular weight of 438.56 g/mol, XLogP of 4.46, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-2-[1-(2-methylprop-2-enoyloxy)-2-(2-methylprop-2-enoyloxymethyl)butan-2-yl]oxypentyl] 2-methylprop-2-enoate is sourced from PubChem (CID 54246492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).