[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-propoxyethyl] 2-methylprop-2-enoate

C15H28O7 — CID 19097610

IUPAC[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-propoxyethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(COCCOCCOCCO)OCCC
InChIInChI=1S/C15H28O7/c1-4-6-21-14(22-15(17)13(2)3)12-20-11-10-19-9-8-18-7-5-16/h14,16H,2,4-12H2,1,3H3
InChIKeyAKHRUXTVOJKMGL-UHFFFAOYSA-N
MW320.38 g/mol
LogP0.90
Rot. Bonds15

About [2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-propoxyethyl] 2-methylprop-2-enoate

[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-propoxyethyl] 2-methylprop-2-enoate (PubChem CID 19097610) has the molecular formula C15H28O7 and a molecular weight of 320.38 g/mol. Its IUPAC name is [2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-propoxyethyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-propoxyethyl] 2-methylprop-2-enoate
PubChem CID19097610
Molecular FormulaC15H28O7
Molecular Weight320.38 g/mol
Exact Mass320.18
IUPAC Name[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-propoxyethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(COCCOCCOCCO)OCCC
InChIInChI=1S/C15H28O7/c1-4-6-21-14(22-15(17)13(2)3)12-20-11-10-19-9-8-18-7-5-16/h14,16H,2,4-12H2,1,3H3
InChIKeyAKHRUXTVOJKMGL-UHFFFAOYSA-N
XLogP0.90
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

1-[2-(2-hydroxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate
CID 141487666
[1-butoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethyl] prop-2-enoate
CID 22178992
1-(3-hydroxypropoxy)propyl 2-methylprop-2-enoate
CID 88728076
2-[2-[1,2-bis(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 174784846
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 19001742
2-(2-hydroxyethoxy)ethanol;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 174279431
1-butoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-methylprop-2-enoic acid
CID 87238952
1-[1-(2-hydroxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate
CID 88836722
4-hydroxy-5-[2-(2-hydroxyethoxy)ethoxy]-2-methylpent-1-en-3-one
CID 142665431
[2-hydroxy-1-(2-hydroxyethoxy)propyl] 2-methylprop-2-enoate
CID 88729581
2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-methoxyethanol;2-methylprop-2-enoic acid
CID 87255356
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;tetrakis(2-methylprop-2-enoic acid)
CID 173364076

Frequently Asked Questions

What is the IUPAC name of [2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-propoxyethyl] 2-methylprop-2-enoate?
The IUPAC name of [2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-propoxyethyl] 2-methylprop-2-enoate (CID 19097610) is [2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-propoxyethyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-propoxyethyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-propoxyethyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(COCCOCCOCCO)OCCC.
What is the InChIKey of [2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-propoxyethyl] 2-methylprop-2-enoate?
The InChIKey is AKHRUXTVOJKMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O7/c1-4-6-21-14(22-15(17)13(2)3)12-20-11-10-19-9-8-18-7-5-16/h14,16H,2,4-12H2,1,3H3.
What are the key properties of [2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-propoxyethyl] 2-methylprop-2-enoate?
[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-propoxyethyl] 2-methylprop-2-enoate has a molecular weight of 320.38 g/mol, XLogP of 0.90, 15 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-propoxyethyl] 2-methylprop-2-enoate is sourced from PubChem (CID 19097610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).