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

C10H18O5 — CID 88836722

IUPAC1-[1-(2-hydroxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)OC(C)OCCO
InChIInChI=1S/C10H18O5/c1-7(2)10(12)15-9(4)14-8(3)13-6-5-11/h8-9,11H,1,5-6H2,2-4H3
InChIKeyAYPOJERYNQCURU-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.82
Rot. Bonds7

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

1-[1-(2-hydroxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate (PubChem CID 88836722) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is 1-[1-(2-hydroxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-[1-(2-hydroxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate
PubChem CID88836722
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name1-[1-(2-hydroxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)OC(C)OCCO
InChIInChI=1S/C10H18O5/c1-7(2)10(12)15-9(4)14-8(3)13-6-5-11/h8-9,11H,1,5-6H2,2-4H3
InChIKeyAYPOJERYNQCURU-UHFFFAOYSA-N
XLogP0.82
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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
[2-hydroxy-1-(2-hydroxyethoxy)propyl] 2-methylprop-2-enoate
CID 88729581
2-(1-propan-2-yloxyethoxy)ethyl 2-methylprop-2-enoate
CID 15529247
[(2S,4S)-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate
CID 101184166
1-acetyloxyethyl 2-methylprop-2-enoate
CID 18517368
propan-2-yl 2-methylprop-2-enoate
CID 146421311
2-[1-[1-(2-chloroethoxy)ethoxy]ethoxy]ethanol
CID 88699354
bis(ethane-1,2-diol);ethene;2-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate
CID 173326702
[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-propoxyethyl] 2-methylprop-2-enoate
CID 19097610
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649
1-[2-(2-methylprop-2-enoyloxy)propoxyperoxy]propan-2-yl 2-methylprop-2-enoate
CID 90187084
trihydroxy-[2-(2-methylprop-2-enoyloxy)propyl]phosphanium
CID 154142538

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-hydroxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate?
The IUPAC name of 1-[1-(2-hydroxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate (CID 88836722) is 1-[1-(2-hydroxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-[1-(2-hydroxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 1-[1-(2-hydroxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)OC(C)OCCO.
What is the InChIKey of 1-[1-(2-hydroxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate?
The InChIKey is AYPOJERYNQCURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5/c1-7(2)10(12)15-9(4)14-8(3)13-6-5-11/h8-9,11H,1,5-6H2,2-4H3.
What are the key properties of 1-[1-(2-hydroxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate?
1-[1-(2-hydroxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate has a molecular weight of 218.25 g/mol, XLogP of 0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-hydroxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 88836722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).