[3-ethyl-5-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate

C15H24O4 — CID 87650049

IUPAC[3-ethyl-5-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(CC)CCOC(=O)C(=C)C
InChIInChI=1S/C15H24O4/c1-6-13(7-9-18-14(16)11(2)3)8-10-19-15(17)12(4)5/h13H,2,4,6-10H2,1,3,5H3
InChIKeyPFXVQRHRHACEPZ-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.03
Rot. Bonds9

About [3-ethyl-5-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate

[3-ethyl-5-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate (PubChem CID 87650049) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is [3-ethyl-5-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3-ethyl-5-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate
PubChem CID87650049
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name[3-ethyl-5-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(CC)CCOC(=O)C(=C)C
InChIInChI=1S/C15H24O4/c1-6-13(7-9-18-14(16)11(2)3)8-10-19-15(17)12(4)5/h13H,2,4,6-10H2,1,3,5H3
InChIKeyPFXVQRHRHACEPZ-UHFFFAOYSA-N
XLogP3.03
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
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 [3-ethyl-5-(2-methylprop-2-enoyloxy)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

[7-ethyl-10-(2-methylprop-2-enoyloxy)decyl] 2-methylprop-2-enoate
CID 155725182
4-ethyloctyl 2-methylprop-2-enoate
CID 57022473
5-ethyloctadecyl 2-methylprop-2-enoate
CID 87137443
3-butylhexadecyl 2-methylprop-2-enoate
CID 140601631
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
[3-hydroxy-4-(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 19428981
2-hydroxyethyl 2-methylprop-2-enoate;propane-1,1-diol
CID 174925229
2-(1-hydroxybutoxy)ethyl 2-methylprop-2-enoate
CID 166763428
[(2S)-2-ethylhexyl] 2-methylprop-2-enoate
CID 6993188
azane;propyl 2-methylprop-2-enoate
CID 172812841
triethyl-[12-(2-methylprop-2-enoyloxy)dodecyl]phosphanium bromide
CID 121293506
2-ethyl-5-(2-methylprop-2-enoyloxy)pentanoic acid
CID 140531470

Frequently Asked Questions

What is the IUPAC name of [3-ethyl-5-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate?
The IUPAC name of [3-ethyl-5-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate (CID 87650049) is [3-ethyl-5-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate.
What is the SMILES notation for [3-ethyl-5-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate?
The canonical SMILES for [3-ethyl-5-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCCC(CC)CCOC(=O)C(=C)C.
What is the InChIKey of [3-ethyl-5-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate?
The InChIKey is PFXVQRHRHACEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-6-13(7-9-18-14(16)11(2)3)8-10-19-15(17)12(4)5/h13H,2,4,6-10H2,1,3,5H3.
What are the key properties of [3-ethyl-5-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate?
[3-ethyl-5-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate has a molecular weight of 268.35 g/mol, XLogP of 3.03, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-5-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate is sourced from PubChem (CID 87650049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).