2-(1-ethenoxy-1-ethoxyethoxy)propyl 2-methylprop-2-enoate

C13H22O5 — CID 140618105

IUPAC2-(1-ethenoxy-1-ethoxyethoxy)propyl 2-methylprop-2-enoate
SMILESC=COC(C)(OCC)OC(C)COC(=O)C(=C)C
InChIInChI=1S/C13H22O5/c1-7-16-13(6,17-8-2)18-11(5)9-15-12(14)10(3)4/h7,11H,1,3,8-9H2,2,4-6H3
InChIKeyCRRFGWTZEAXDAH-UHFFFAOYSA-N
MW258.31 g/mol
LogP2.38
Rot. Bonds9

About 2-(1-ethenoxy-1-ethoxyethoxy)propyl 2-methylprop-2-enoate

2-(1-ethenoxy-1-ethoxyethoxy)propyl 2-methylprop-2-enoate (PubChem CID 140618105) has the molecular formula C13H22O5 and a molecular weight of 258.31 g/mol. Its IUPAC name is 2-(1-ethenoxy-1-ethoxyethoxy)propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(1-ethenoxy-1-ethoxyethoxy)propyl 2-methylprop-2-enoate
PubChem CID140618105
Molecular FormulaC13H22O5
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC Name2-(1-ethenoxy-1-ethoxyethoxy)propyl 2-methylprop-2-enoate
SMILESC=COC(C)(OCC)OC(C)COC(=O)C(=C)C
InChIInChI=1S/C13H22O5/c1-7-16-13(6,17-8-2)18-11(5)9-15-12(14)10(3)4/h7,11H,1,3,8-9H2,2,4-6H3
InChIKeyCRRFGWTZEAXDAH-UHFFFAOYSA-N
XLogP2.38
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

CID 166515106
CID 166515106
2-ethenoxybutyl 2-methylprop-2-enoate
CID 87422864
2-(2-ethenoxypropoxy)propan-2-yl 2-methylprop-2-enoate
CID 141200915
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
ethenol;ethyl 2-methylprop-2-enoate
CID 174606807
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-methylpropyl 2-methylprop-2-enoate;tris(prop-2-enoic acid)
CID 162192906
2-(2-methylpentan-2-ylcarbamoyloxy)propyl 2-methylprop-2-enoate
CID 122555482
ethane;2-methanidylpropyl 2-methylprop-2-enoate;tungsten(2+)
CID 20605307
methyl-[1-(2-methylprop-2-enoyloxy)propan-2-yloxy]phosphinic acid
CID 88872166
bis(ethane-1,2-diol);ethene;2-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate
CID 173326702
1-(2-methylprop-2-enoyloxy)propan-2-yl docosanoate
CID 139616268
ethyl 2-methylprop-2-enoate
CID 130475774

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethenoxy-1-ethoxyethoxy)propyl 2-methylprop-2-enoate?
The IUPAC name of 2-(1-ethenoxy-1-ethoxyethoxy)propyl 2-methylprop-2-enoate (CID 140618105) is 2-(1-ethenoxy-1-ethoxyethoxy)propyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(1-ethenoxy-1-ethoxyethoxy)propyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(1-ethenoxy-1-ethoxyethoxy)propyl 2-methylprop-2-enoate is C=COC(C)(OCC)OC(C)COC(=O)C(=C)C.
What is the InChIKey of 2-(1-ethenoxy-1-ethoxyethoxy)propyl 2-methylprop-2-enoate?
The InChIKey is CRRFGWTZEAXDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O5/c1-7-16-13(6,17-8-2)18-11(5)9-15-12(14)10(3)4/h7,11H,1,3,8-9H2,2,4-6H3.
What are the key properties of 2-(1-ethenoxy-1-ethoxyethoxy)propyl 2-methylprop-2-enoate?
2-(1-ethenoxy-1-ethoxyethoxy)propyl 2-methylprop-2-enoate has a molecular weight of 258.31 g/mol, XLogP of 2.38, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethenoxy-1-ethoxyethoxy)propyl 2-methylprop-2-enoate is sourced from PubChem (CID 140618105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).