ethylbenzene;2-hydroxyethyl prop-2-enoate;propyl 2-methylprop-2-enoate

C20H30O5 — CID 123212080

IUPACethylbenzene;2-hydroxyethyl prop-2-enoate;propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC.C=CC(=O)OCCO.CCc1ccccc1
InChIInChI=1S/C8H10.C7H12O2.C5H8O3/c1-2-8-6-4-3-5-7-8;1-4-5-9-7(8)6(2)3;1-2-5(7)8-4-3-6/h3-7H,2H2,1H3;2,4-5H2,1,3H3;2,6H,1,3-4H2
InChIKeyXOPHSVJCEHLJLF-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.47
Rot. Bonds7

About ethylbenzene;2-hydroxyethyl prop-2-enoate;propyl 2-methylprop-2-enoate

ethylbenzene;2-hydroxyethyl prop-2-enoate;propyl 2-methylprop-2-enoate (PubChem CID 123212080) has the molecular formula C20H30O5 and a molecular weight of 350.46 g/mol. Its IUPAC name is ethylbenzene;2-hydroxyethyl prop-2-enoate;propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Nameethylbenzene;2-hydroxyethyl prop-2-enoate;propyl 2-methylprop-2-enoate
PubChem CID123212080
Molecular FormulaC20H30O5
Molecular Weight350.46 g/mol
Exact Mass350.21
IUPAC Nameethylbenzene;2-hydroxyethyl prop-2-enoate;propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC.C=CC(=O)OCCO.CCc1ccccc1
InChIInChI=1S/C8H10.C7H12O2.C5H8O3/c1-2-8-6-4-3-5-7-8;1-4-5-9-7(8)6(2)3;1-2-5(7)8-4-3-6/h3-7H,2H2,1H3;2,4-5H2,1,3H3;2,6H,1,3-4H2
InChIKeyXOPHSVJCEHLJLF-UHFFFAOYSA-N
XLogP3.47
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

butyl 2-methylprop-2-enoate;butyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;styrene
CID 70469548
butyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate
CID 23051015
ethyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;prop-2-enoic acid;styrene
CID 6452558
butyl 2-methylprop-2-enoate;butyl prop-2-enoate;3-hydroxypropyl prop-2-enoate;prop-2-enoic acid;styrene
CID 158235097
2-hydroxyethyl prop-2-enoate;tridecyl 2-methylprop-2-enoate
CID 87841957
2-hydroxyethyl 2-methylprop-2-enoate;phenylmethoxymethylbenzene
CID 70268341
butyl prop-2-enoate;ethyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate
CID 159958630
2-hydroxyethyl prop-2-enoate;hydroxymethyl 2-methylprop-2-enoate
CID 159156853
2-(dimethylamino)ethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;2-methylprop-2-enoic acid;styrene
CID 174493800
2-hydroxyethyl prop-2-enoate;styrene;2,2,2-trifluoroethyl 2-methylprop-2-enoate
CID 174793037
butan-2-yl 2-methylidene-4-phenylbut-3-enoate;butyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate
CID 88689251
benzyl 2-methylprop-2-enoate;benzyl prop-2-enoate;2-methylprop-2-enoic acid;prop-2-enoic acid
CID 158940006

Frequently Asked Questions

What is the IUPAC name of ethylbenzene;2-hydroxyethyl prop-2-enoate;propyl 2-methylprop-2-enoate?
The IUPAC name of ethylbenzene;2-hydroxyethyl prop-2-enoate;propyl 2-methylprop-2-enoate (CID 123212080) is ethylbenzene;2-hydroxyethyl prop-2-enoate;propyl 2-methylprop-2-enoate.
What is the SMILES notation for ethylbenzene;2-hydroxyethyl prop-2-enoate;propyl 2-methylprop-2-enoate?
The canonical SMILES for ethylbenzene;2-hydroxyethyl prop-2-enoate;propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC.C=CC(=O)OCCO.CCc1ccccc1.
What is the InChIKey of ethylbenzene;2-hydroxyethyl prop-2-enoate;propyl 2-methylprop-2-enoate?
The InChIKey is XOPHSVJCEHLJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C7H12O2.C5H8O3/c1-2-8-6-4-3-5-7-8;1-4-5-9-7(8)6(2)3;1-2-5(7)8-4-3-6/h3-7H,2H2,1H3;2,4-5H2,1,3H3;2,6H,1,3-4H2.
What are the key properties of ethylbenzene;2-hydroxyethyl prop-2-enoate;propyl 2-methylprop-2-enoate?
ethylbenzene;2-hydroxyethyl prop-2-enoate;propyl 2-methylprop-2-enoate has a molecular weight of 350.46 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethylbenzene;2-hydroxyethyl prop-2-enoate;propyl 2-methylprop-2-enoate is sourced from PubChem (CID 123212080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).