ethylbenzene;2-hydroxyethyl 2-methylpropanoate;methyl 2-methylpropanoate

C19H32O5 — CID 139213501

IUPACethylbenzene;2-hydroxyethyl 2-methylpropanoate;methyl 2-methylpropanoate
SMILESCC(C)C(=O)OCCO.CCc1ccccc1.COC(=O)C(C)C
InChIInChI=1S/C8H10.C6H12O3.C5H10O2/c1-2-8-6-4-3-5-7-8;1-5(2)6(8)9-4-3-7;1-4(2)5(6)7-3/h3-7H,2H2,1H3;5,7H,3-4H2,1-2H3;4H,1-3H3
InChIKeyVGQOKQQUQGVVHM-UHFFFAOYSA-N
MW340.46 g/mol
LogP3.24
Rot. Bonds5

About ethylbenzene;2-hydroxyethyl 2-methylpropanoate;methyl 2-methylpropanoate

ethylbenzene;2-hydroxyethyl 2-methylpropanoate;methyl 2-methylpropanoate (PubChem CID 139213501) has the molecular formula C19H32O5 and a molecular weight of 340.46 g/mol. Its IUPAC name is ethylbenzene;2-hydroxyethyl 2-methylpropanoate;methyl 2-methylpropanoate.

Molecular Properties

Compound Nameethylbenzene;2-hydroxyethyl 2-methylpropanoate;methyl 2-methylpropanoate
PubChem CID139213501
Molecular FormulaC19H32O5
Molecular Weight340.46 g/mol
Exact Mass340.22
IUPAC Nameethylbenzene;2-hydroxyethyl 2-methylpropanoate;methyl 2-methylpropanoate
SMILESCC(C)C(=O)OCCO.CCc1ccccc1.COC(=O)C(C)C
InChIInChI=1S/C8H10.C6H12O3.C5H10O2/c1-2-8-6-4-3-5-7-8;1-5(2)6(8)9-4-3-7;1-4(2)5(6)7-3/h3-7H,2H2,1H3;5,7H,3-4H2,1-2H3;4H,1-3H3
InChIKeyVGQOKQQUQGVVHM-UHFFFAOYSA-N
XLogP3.24
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Propenoic acid, 2-methyl-, butyl ester, polymer with ethenylbenzene, 2-hydroxyethyl 2-propenoate and methyl 2-methyl-2-propenoate
CID 62214
Butyl prop-2-enoate;2-hydroxyethyl prop-2-enoate;styrene
CID 168557
Styrene 2-ethylhexyl acrylate acrylic acid 2-hydroxyethyl acrylate
CID 168668
Butyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;styrene
CID 169756
Butyl prop-2-enoate;2-hydroxyethyl prop-2-enoate;methyl 2-methylprop-2-enoate;styrene
CID 170679
Butyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;styrene
CID 171475
2-Hydroxyethyl prop-2-enoate;methyl 2-methylprop-2-enoate;styrene
CID 6451761
Styrene 2-hydroxyethyl methacrylate
CID 18961255
Butyl prop-2-enoate;2-hydroxyethyl prop-2-enoate;2-methylprop-2-enoic acid;styrene
CID 66618918
2-Hydroxyethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;styrene
CID 66831563
Butyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;styrene
CID 67550890
2-(2-Methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;styrene
CID 67563866

Frequently Asked Questions

What is the IUPAC name of ethylbenzene;2-hydroxyethyl 2-methylpropanoate;methyl 2-methylpropanoate?
The IUPAC name of ethylbenzene;2-hydroxyethyl 2-methylpropanoate;methyl 2-methylpropanoate (CID 139213501) is ethylbenzene;2-hydroxyethyl 2-methylpropanoate;methyl 2-methylpropanoate.
What is the SMILES notation for ethylbenzene;2-hydroxyethyl 2-methylpropanoate;methyl 2-methylpropanoate?
The canonical SMILES for ethylbenzene;2-hydroxyethyl 2-methylpropanoate;methyl 2-methylpropanoate is CC(C)C(=O)OCCO.CCc1ccccc1.COC(=O)C(C)C.
What is the InChIKey of ethylbenzene;2-hydroxyethyl 2-methylpropanoate;methyl 2-methylpropanoate?
The InChIKey is VGQOKQQUQGVVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C6H12O3.C5H10O2/c1-2-8-6-4-3-5-7-8;1-5(2)6(8)9-4-3-7;1-4(2)5(6)7-3/h3-7H,2H2,1H3;5,7H,3-4H2,1-2H3;4H,1-3H3.
What are the key properties of ethylbenzene;2-hydroxyethyl 2-methylpropanoate;methyl 2-methylpropanoate?
ethylbenzene;2-hydroxyethyl 2-methylpropanoate;methyl 2-methylpropanoate has a molecular weight of 340.46 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethylbenzene;2-hydroxyethyl 2-methylpropanoate;methyl 2-methylpropanoate is sourced from PubChem (CID 139213501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).