ethanol;2-hydroxyethyl 2-methylprop-2-enoate;(2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate

C18H30O9 — CID 174939081

IUPACethanol;2-hydroxyethyl 2-methylprop-2-enoate;(2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCO.C=CC(=O)OCC(O)COC(=O)C(=C)C.CCO
InChIInChI=1S/C10H14O5.C6H10O3.C2H6O/c1-4-9(12)14-5-8(11)6-15-10(13)7(2)3;1-5(2)6(8)9-4-3-7;1-2-3/h4,8,11H,1-2,5-6H2,3H3;7H,1,3-4H2,2H3;3H,2H2,1H3
InChIKeyJBOFUFYWUYVGEG-UHFFFAOYSA-N
MW390.43 g/mol
LogP0.29
Rot. Bonds9

About ethanol;2-hydroxyethyl 2-methylprop-2-enoate;(2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate

ethanol;2-hydroxyethyl 2-methylprop-2-enoate;(2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate (PubChem CID 174939081) has the molecular formula C18H30O9 and a molecular weight of 390.43 g/mol. Its IUPAC name is ethanol;2-hydroxyethyl 2-methylprop-2-enoate;(2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Nameethanol;2-hydroxyethyl 2-methylprop-2-enoate;(2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate
PubChem CID174939081
Molecular FormulaC18H30O9
Molecular Weight390.43 g/mol
Exact Mass390.19
IUPAC Nameethanol;2-hydroxyethyl 2-methylprop-2-enoate;(2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCO.C=CC(=O)OCC(O)COC(=O)C(=C)C.CCO
InChIInChI=1S/C10H14O5.C6H10O3.C2H6O/c1-4-9(12)14-5-8(11)6-15-10(13)7(2)3;1-5(2)6(8)9-4-3-7;1-2-3/h4,8,11H,1-2,5-6H2,3H3;7H,1,3-4H2,2H3;3H,2H2,1H3
InChIKeyJBOFUFYWUYVGEG-UHFFFAOYSA-N
XLogP0.29
TPSA139.59 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethanol;2-hydroxyethyl 2-methylprop-2-enoate;(2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxyethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate;2-hydroxypropyl prop-2-enoate
CID 159540810
(2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate;methane;prop-2-enamide
CID 160685557
butyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate
CID 23051015
2-hydroxyethyl prop-2-enoate;hydroxymethyl 2-methylprop-2-enoate
CID 159156853
2-hydroxyethyl 2-methylprop-2-enoate;2-methylpropyl 2-methylprop-2-enoate;octyl prop-2-enoate
CID 158734607
2-hydroxyethyl prop-2-enoate;tridecyl 2-methylprop-2-enoate
CID 87841957
2-hydroxyethyl 2-methylprop-2-enoate;propane-1,1-diol
CID 174925229
butyl prop-2-enoate;ethyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate
CID 159958630
2-hydroxyethyl 2-methylprop-2-enoate;octakis(prop-1-ene)
CID 173395322
(2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate;phthalic acid
CID 174553100
butyl prop-2-enoate;[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]-trimethylazanium;2-methylbuta-1,3-diene;chloride
CID 173247639
4-hydroxybutyl 2-methylprop-2-enoate;(2-hydroxy-3-phenoxypropyl) prop-2-enoate
CID 160827387

Frequently Asked Questions

What is the IUPAC name of ethanol;2-hydroxyethyl 2-methylprop-2-enoate;(2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate?
The IUPAC name of ethanol;2-hydroxyethyl 2-methylprop-2-enoate;(2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate (CID 174939081) is ethanol;2-hydroxyethyl 2-methylprop-2-enoate;(2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate.
What is the SMILES notation for ethanol;2-hydroxyethyl 2-methylprop-2-enoate;(2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate?
The canonical SMILES for ethanol;2-hydroxyethyl 2-methylprop-2-enoate;(2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate is C=C(C)C(=O)OCCO.C=CC(=O)OCC(O)COC(=O)C(=C)C.CCO.
What is the InChIKey of ethanol;2-hydroxyethyl 2-methylprop-2-enoate;(2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate?
The InChIKey is JBOFUFYWUYVGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5.C6H10O3.C2H6O/c1-4-9(12)14-5-8(11)6-15-10(13)7(2)3;1-5(2)6(8)9-4-3-7;1-2-3/h4,8,11H,1-2,5-6H2,3H3;7H,1,3-4H2,2H3;3H,2H2,1H3.
What are the key properties of ethanol;2-hydroxyethyl 2-methylprop-2-enoate;(2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate?
ethanol;2-hydroxyethyl 2-methylprop-2-enoate;(2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate has a molecular weight of 390.43 g/mol, XLogP of 0.29, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;2-hydroxyethyl 2-methylprop-2-enoate;(2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate is sourced from PubChem (CID 174939081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).