2-[1-(2-methylprop-2-enoyloxy)ethyl]pentyl 2-methylprop-2-enoate

C15H24O4 — CID 154099219

IUPAC2-[1-(2-methylprop-2-enoyloxy)ethyl]pentyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(CCC)C(C)OC(=O)C(=C)C
InChIInChI=1S/C15H24O4/c1-7-8-13(9-18-14(16)10(2)3)12(6)19-15(17)11(4)5/h12-13H,2,4,7-9H2,1,3,5-6H3
InChIKeyURMUSZCWXDFQJA-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.03
Rot. Bonds8

About 2-[1-(2-methylprop-2-enoyloxy)ethyl]pentyl 2-methylprop-2-enoate

2-[1-(2-methylprop-2-enoyloxy)ethyl]pentyl 2-methylprop-2-enoate (PubChem CID 154099219) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is 2-[1-(2-methylprop-2-enoyloxy)ethyl]pentyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[1-(2-methylprop-2-enoyloxy)ethyl]pentyl 2-methylprop-2-enoate
PubChem CID154099219
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name2-[1-(2-methylprop-2-enoyloxy)ethyl]pentyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(CCC)C(C)OC(=O)C(=C)C
InChIInChI=1S/C15H24O4/c1-7-8-13(9-18-14(16)10(2)3)12(6)19-15(17)11(4)5/h12-13H,2,4,7-9H2,1,3,5-6H3
InChIKeyURMUSZCWXDFQJA-UHFFFAOYSA-N
XLogP3.03
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[1-(2-methylprop-2-enoyloxy)ethyl]pentyl 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(2-methylprop-2-enoyloxy)ethyl]hexyl 2-methylprop-2-enoate
CID 19391086
3-(hydroxymethyl)heptan-2-yl 2-methylprop-2-enoate
CID 54259962
1-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;2-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propyl 2-methylprop-2-enoate
CID 87844195
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649
butyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]phosphanium
CID 175290626
2-(acetyloxymethyl)pentyl 2-methylprop-2-enoate
CID 131979241
2-(2-methylprop-2-enoyloxy)decyl 2-methylprop-2-enoate
CID 87149420
[(2S)-2-hydroxy-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate
CID 88713969
2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl 2-methylprop-2-enoate
CID 18762108
1-bromobutyl 2-methylprop-2-enoate
CID 87523903
ethane;2-methanidylpropyl 2-methylprop-2-enoate;tungsten(2+)
CID 20605307
ethane-1,2-diol;[3-hydroxy-2-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
CID 22129264

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylprop-2-enoyloxy)ethyl]pentyl 2-methylprop-2-enoate?
The IUPAC name of 2-[1-(2-methylprop-2-enoyloxy)ethyl]pentyl 2-methylprop-2-enoate (CID 154099219) is 2-[1-(2-methylprop-2-enoyloxy)ethyl]pentyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[1-(2-methylprop-2-enoyloxy)ethyl]pentyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[1-(2-methylprop-2-enoyloxy)ethyl]pentyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC(CCC)C(C)OC(=O)C(=C)C.
What is the InChIKey of 2-[1-(2-methylprop-2-enoyloxy)ethyl]pentyl 2-methylprop-2-enoate?
The InChIKey is URMUSZCWXDFQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-7-8-13(9-18-14(16)10(2)3)12(6)19-15(17)11(4)5/h12-13H,2,4,7-9H2,1,3,5-6H3.
What are the key properties of 2-[1-(2-methylprop-2-enoyloxy)ethyl]pentyl 2-methylprop-2-enoate?
2-[1-(2-methylprop-2-enoyloxy)ethyl]pentyl 2-methylprop-2-enoate has a molecular weight of 268.35 g/mol, XLogP of 3.03, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylprop-2-enoyloxy)ethyl]pentyl 2-methylprop-2-enoate is sourced from PubChem (CID 154099219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).