3-[2-[3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]propyl 2-methylprop-2-enoate

C16H26O6 — CID 87490108

IUPAC3-[2-[3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCOCCOCCCOC(=O)C(=C)C
InChIInChI=1S/C16H26O6/c1-13(2)15(17)21-9-5-7-19-11-12-20-8-6-10-22-16(18)14(3)4/h1,3,5-12H2,2,4H3
InChIKeyJSWBKPYLLAFCQU-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.04
Rot. Bonds13

About 3-[2-[3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]propyl 2-methylprop-2-enoate

3-[2-[3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]propyl 2-methylprop-2-enoate (PubChem CID 87490108) has the molecular formula C16H26O6 and a molecular weight of 314.38 g/mol. Its IUPAC name is 3-[2-[3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-[2-[3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]propyl 2-methylprop-2-enoate
PubChem CID87490108
Molecular FormulaC16H26O6
Molecular Weight314.38 g/mol
Exact Mass314.17
IUPAC Name3-[2-[3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCOCCOCCCOC(=O)C(=C)C
InChIInChI=1S/C16H26O6/c1-13(2)15(17)21-9-5-7-19-11-12-20-8-6-10-22-16(18)14(3)4/h1,3,5-12H2,2,4H3
InChIKeyJSWBKPYLLAFCQU-UHFFFAOYSA-N
XLogP2.04
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[4-(2-methylprop-2-enoyloxy)butoxy]butoxy]butyl 2-methylprop-2-enoate
CID 101360150
2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 7979
2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 18762112
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 139628547
11-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]undecyl 2-methylprop-2-enoate
CID 87263491
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 22247396
2-(2-aminoethoxy)ethyl 2-methylprop-2-enoate
CID 20573934
12-octoxydodecyl 2-methylprop-2-enoate
CID 139797904
5-pentoxypentyl 2-methylprop-2-enoate
CID 139797922
10-pentoxydecyl 2-methylprop-2-enoate
CID 139797940
2-(3-sulfanylpropoxy)ethyl 2-methylprop-2-enoate
CID 89112339
2-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 102117026

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]propyl 2-methylprop-2-enoate?
The IUPAC name of 3-[2-[3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]propyl 2-methylprop-2-enoate (CID 87490108) is 3-[2-[3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-[2-[3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]propyl 2-methylprop-2-enoate?
The canonical SMILES for 3-[2-[3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCOCCOCCCOC(=O)C(=C)C.
What is the InChIKey of 3-[2-[3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]propyl 2-methylprop-2-enoate?
The InChIKey is JSWBKPYLLAFCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O6/c1-13(2)15(17)21-9-5-7-19-11-12-20-8-6-10-22-16(18)14(3)4/h1,3,5-12H2,2,4H3.
What are the key properties of 3-[2-[3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]propyl 2-methylprop-2-enoate?
3-[2-[3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]propyl 2-methylprop-2-enoate has a molecular weight of 314.38 g/mol, XLogP of 2.04, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]propyl 2-methylprop-2-enoate is sourced from PubChem (CID 87490108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).