2-hydroxyethyl 2-methylprop-2-enoate;nonakis(methyl 2-methylprop-2-enoate)

C51H82O21 — CID 173405157

IUPAC2-hydroxyethyl 2-methylprop-2-enoate;nonakis(methyl 2-methylprop-2-enoate)
SMILESC=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OCCO
InChIInChI=1S/C6H10O3.9C5H8O2/c1-5(2)6(8)9-4-3-7;9*1-4(2)5(6)7-3/h7H,1,3-4H2,2H3;9*1H2,2-3H3
InChIKeyHBJHEDSAOOQMHA-UHFFFAOYSA-N
MW1031.20 g/mol
LogP6.72
Rot. Bonds12

About 2-hydroxyethyl 2-methylprop-2-enoate;nonakis(methyl 2-methylprop-2-enoate)

2-hydroxyethyl 2-methylprop-2-enoate;nonakis(methyl 2-methylprop-2-enoate) (PubChem CID 173405157) has the molecular formula C51H82O21 and a molecular weight of 1031.20 g/mol. Its IUPAC name is 2-hydroxyethyl 2-methylprop-2-enoate;nonakis(methyl 2-methylprop-2-enoate).

Molecular Properties

Compound Name2-hydroxyethyl 2-methylprop-2-enoate;nonakis(methyl 2-methylprop-2-enoate)
PubChem CID173405157
Molecular FormulaC51H82O21
Molecular Weight1031.20 g/mol
Exact Mass1030.53
IUPAC Name2-hydroxyethyl 2-methylprop-2-enoate;nonakis(methyl 2-methylprop-2-enoate)
SMILESC=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OCCO
InChIInChI=1S/C6H10O3.9C5H8O2/c1-5(2)6(8)9-4-3-7;9*1-4(2)5(6)7-3/h7H,1,3-4H2,2H3;9*1H2,2-3H3
InChIKeyHBJHEDSAOOQMHA-UHFFFAOYSA-N
XLogP6.72
TPSA283.23 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds12
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001031.20
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 3080735
2-hydroxyethyl 2-methylprop-2-enoate;phosphorous acid
CID 162067648
2-hydroxyethyl 2-methylprop-2-enoate;2-methylpropan-2-ol
CID 161086625
2-hydroxyethyl 2-methylprop-2-enoate;octakis(prop-1-ene)
CID 173395322
2-hydroxyethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 86750009
2,4-dimethylidenepentanediamide;2-hydroxyethyl 2-methylprop-2-enoate
CID 87356884
2-hydroxyethyl 2-methylprop-2-enoate sulfate
CID 20566074
4-hydroxybutyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate
CID 87803089
2-hydroxyethyl 2-methylprop-2-enoate;propane-1,1-diol
CID 174925229
1,2-dimethoxyethane;methyl 2-methylprop-2-enoate
CID 175106203
3-hydroxypropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;prop-2-enoic acid
CID 161474315
hydroxylamine;methyl 2-methylprop-2-enoate
CID 174509239

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2-methylprop-2-enoate;nonakis(methyl 2-methylprop-2-enoate)?
The IUPAC name of 2-hydroxyethyl 2-methylprop-2-enoate;nonakis(methyl 2-methylprop-2-enoate) (CID 173405157) is 2-hydroxyethyl 2-methylprop-2-enoate;nonakis(methyl 2-methylprop-2-enoate).
What is the SMILES notation for 2-hydroxyethyl 2-methylprop-2-enoate;nonakis(methyl 2-methylprop-2-enoate)?
The canonical SMILES for 2-hydroxyethyl 2-methylprop-2-enoate;nonakis(methyl 2-methylprop-2-enoate) is C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl 2-methylprop-2-enoate;nonakis(methyl 2-methylprop-2-enoate)?
The InChIKey is HBJHEDSAOOQMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.9C5H8O2/c1-5(2)6(8)9-4-3-7;9*1-4(2)5(6)7-3/h7H,1,3-4H2,2H3;9*1H2,2-3H3.
What are the key properties of 2-hydroxyethyl 2-methylprop-2-enoate;nonakis(methyl 2-methylprop-2-enoate)?
2-hydroxyethyl 2-methylprop-2-enoate;nonakis(methyl 2-methylprop-2-enoate) has a molecular weight of 1031.20 g/mol, XLogP of 6.72, 12 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-methylprop-2-enoate;nonakis(methyl 2-methylprop-2-enoate) is sourced from PubChem (CID 173405157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).