[7-ethyl-10-(2-methylprop-2-enoyloxy)decyl] 2-methylprop-2-enoate

C20H34O4 — CID 155725182

IUPAC[7-ethyl-10-(2-methylprop-2-enoyloxy)decyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCC(CC)CCCOC(=O)C(=C)C
InChIInChI=1S/C20H34O4/c1-6-18(13-11-15-24-20(22)17(4)5)12-9-7-8-10-14-23-19(21)16(2)3/h18H,2,4,6-15H2,1,3,5H3
InChIKeyVJYCBSJKXYDOBW-UHFFFAOYSA-N
MW338.49 g/mol
LogP4.98
Rot. Bonds14

About [7-ethyl-10-(2-methylprop-2-enoyloxy)decyl] 2-methylprop-2-enoate

[7-ethyl-10-(2-methylprop-2-enoyloxy)decyl] 2-methylprop-2-enoate (PubChem CID 155725182) has the molecular formula C20H34O4 and a molecular weight of 338.49 g/mol. Its IUPAC name is [7-ethyl-10-(2-methylprop-2-enoyloxy)decyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[7-ethyl-10-(2-methylprop-2-enoyloxy)decyl] 2-methylprop-2-enoate
PubChem CID155725182
Molecular FormulaC20H34O4
Molecular Weight338.49 g/mol
Exact Mass338.25
IUPAC Name[7-ethyl-10-(2-methylprop-2-enoyloxy)decyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCC(CC)CCCOC(=O)C(=C)C
InChIInChI=1S/C20H34O4/c1-6-18(13-11-15-24-20(22)17(4)5)12-9-7-8-10-14-23-19(21)16(2)3/h18H,2,4,6-15H2,1,3,5H3
InChIKeyVJYCBSJKXYDOBW-UHFFFAOYSA-N
XLogP4.98
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [7-ethyl-10-(2-methylprop-2-enoyloxy)decyl] 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

5-ethyloctadecyl 2-methylprop-2-enoate
CID 87137443
4-ethyloctyl 2-methylprop-2-enoate
CID 57022473
[9-hydroxy-8-(hydroxymethyl)nonyl] 2-methylprop-2-enoate
CID 23046622
[3-ethyl-5-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate
CID 87650049
8-propyltetradecyl 2-methylprop-2-enoate
CID 156690480
triethyl-[12-(2-methylprop-2-enoyloxy)dodecyl]phosphanium bromide
CID 121293506
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
2-[10-(2-methylprop-2-enoyloxy)decyl]propanedioic acid
CID 14453192
3-butylhexadecyl 2-methylprop-2-enoate
CID 140601631
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 164995054
octatetracontyl 2-methylprop-2-enoate
CID 141233444
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 161498189

Frequently Asked Questions

What is the IUPAC name of [7-ethyl-10-(2-methylprop-2-enoyloxy)decyl] 2-methylprop-2-enoate?
The IUPAC name of [7-ethyl-10-(2-methylprop-2-enoyloxy)decyl] 2-methylprop-2-enoate (CID 155725182) is [7-ethyl-10-(2-methylprop-2-enoyloxy)decyl] 2-methylprop-2-enoate.
What is the SMILES notation for [7-ethyl-10-(2-methylprop-2-enoyloxy)decyl] 2-methylprop-2-enoate?
The canonical SMILES for [7-ethyl-10-(2-methylprop-2-enoyloxy)decyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCC(CC)CCCOC(=O)C(=C)C.
What is the InChIKey of [7-ethyl-10-(2-methylprop-2-enoyloxy)decyl] 2-methylprop-2-enoate?
The InChIKey is VJYCBSJKXYDOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O4/c1-6-18(13-11-15-24-20(22)17(4)5)12-9-7-8-10-14-23-19(21)16(2)3/h18H,2,4,6-15H2,1,3,5H3.
What are the key properties of [7-ethyl-10-(2-methylprop-2-enoyloxy)decyl] 2-methylprop-2-enoate?
[7-ethyl-10-(2-methylprop-2-enoyloxy)decyl] 2-methylprop-2-enoate has a molecular weight of 338.49 g/mol, XLogP of 4.98, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-ethyl-10-(2-methylprop-2-enoyloxy)decyl] 2-methylprop-2-enoate is sourced from PubChem (CID 155725182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).