[2-hydroxy-1-[2-(2-hydroxyethoxy)ethoxy]-2-(2-methylprop-2-enoyloxy)-2-phenoxyethyl] 2-methylprop-2-enoate

C20H26O9 — CID 140663796

IUPAC[2-hydroxy-1-[2-(2-hydroxyethoxy)ethoxy]-2-(2-methylprop-2-enoyloxy)-2-phenoxyethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(OCCOCCO)C(O)(OC(=O)C(=C)C)Oc1ccccc1
InChIInChI=1S/C20H26O9/c1-14(2)17(22)27-19(26-13-12-25-11-10-21)20(24,29-18(23)15(3)4)28-16-8-6-5-7-9-16/h5-9,19,21,24H,1,3,10-13H2,2,4H3
InChIKeyNZDOZBSAGAJNPW-UHFFFAOYSA-N
MW410.42 g/mol
LogP1.30
Rot. Bonds13

About [2-hydroxy-1-[2-(2-hydroxyethoxy)ethoxy]-2-(2-methylprop-2-enoyloxy)-2-phenoxyethyl] 2-methylprop-2-enoate

[2-hydroxy-1-[2-(2-hydroxyethoxy)ethoxy]-2-(2-methylprop-2-enoyloxy)-2-phenoxyethyl] 2-methylprop-2-enoate (PubChem CID 140663796) has the molecular formula C20H26O9 and a molecular weight of 410.42 g/mol. Its IUPAC name is [2-hydroxy-1-[2-(2-hydroxyethoxy)ethoxy]-2-(2-methylprop-2-enoyloxy)-2-phenoxyethyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-hydroxy-1-[2-(2-hydroxyethoxy)ethoxy]-2-(2-methylprop-2-enoyloxy)-2-phenoxyethyl] 2-methylprop-2-enoate
PubChem CID140663796
Molecular FormulaC20H26O9
Molecular Weight410.42 g/mol
Exact Mass410.16
IUPAC Name[2-hydroxy-1-[2-(2-hydroxyethoxy)ethoxy]-2-(2-methylprop-2-enoyloxy)-2-phenoxyethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(OCCOCCO)C(O)(OC(=O)C(=C)C)Oc1ccccc1
InChIInChI=1S/C20H26O9/c1-14(2)17(22)27-19(26-13-12-25-11-10-21)20(24,29-18(23)15(3)4)28-16-8-6-5-7-9-16/h5-9,19,21,24H,1,3,10-13H2,2,4H3
InChIKeyNZDOZBSAGAJNPW-UHFFFAOYSA-N
XLogP1.30
TPSA120.75 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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
(4-hydroxy-4-phenylpentan-2-yl) 2-methylprop-2-enoate
CID 145165282
2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 21252575
(1-acetyloxy-2-phenoxyethyl) 2-methylprop-2-enoate
CID 21390095
N-[2-(2-hydroxyethoxy)ethyl]-2-phenoxybutanamide
CID 60654444
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;tetrakis(2-methylprop-2-enoic acid)
CID 173364076
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-methylprop-2-enoic acid
CID 88625291
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-methylprop-2-enoic acid
CID 88626217
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-methylprop-2-enoic acid
CID 87059902
[3,4-dihydroxy-2,3-bis(hydroxymethyl)-1,2-bis(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 139612104
ethane-1,2-diol;1-phenylethyl 2-methylprop-2-enoate
CID 22590329
benzoic acid;2-hydroxyethyl 2-methylprop-2-enoate
CID 160874005

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-1-[2-(2-hydroxyethoxy)ethoxy]-2-(2-methylprop-2-enoyloxy)-2-phenoxyethyl] 2-methylprop-2-enoate?
The IUPAC name of [2-hydroxy-1-[2-(2-hydroxyethoxy)ethoxy]-2-(2-methylprop-2-enoyloxy)-2-phenoxyethyl] 2-methylprop-2-enoate (CID 140663796) is [2-hydroxy-1-[2-(2-hydroxyethoxy)ethoxy]-2-(2-methylprop-2-enoyloxy)-2-phenoxyethyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-hydroxy-1-[2-(2-hydroxyethoxy)ethoxy]-2-(2-methylprop-2-enoyloxy)-2-phenoxyethyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-hydroxy-1-[2-(2-hydroxyethoxy)ethoxy]-2-(2-methylprop-2-enoyloxy)-2-phenoxyethyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(OCCOCCO)C(O)(OC(=O)C(=C)C)Oc1ccccc1.
What is the InChIKey of [2-hydroxy-1-[2-(2-hydroxyethoxy)ethoxy]-2-(2-methylprop-2-enoyloxy)-2-phenoxyethyl] 2-methylprop-2-enoate?
The InChIKey is NZDOZBSAGAJNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O9/c1-14(2)17(22)27-19(26-13-12-25-11-10-21)20(24,29-18(23)15(3)4)28-16-8-6-5-7-9-16/h5-9,19,21,24H,1,3,10-13H2,2,4H3.
What are the key properties of [2-hydroxy-1-[2-(2-hydroxyethoxy)ethoxy]-2-(2-methylprop-2-enoyloxy)-2-phenoxyethyl] 2-methylprop-2-enoate?
[2-hydroxy-1-[2-(2-hydroxyethoxy)ethoxy]-2-(2-methylprop-2-enoyloxy)-2-phenoxyethyl] 2-methylprop-2-enoate has a molecular weight of 410.42 g/mol, XLogP of 1.30, 13 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-1-[2-(2-hydroxyethoxy)ethoxy]-2-(2-methylprop-2-enoyloxy)-2-phenoxyethyl] 2-methylprop-2-enoate is sourced from PubChem (CID 140663796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).