ethyl acetate;2-hydroxyethyl prop-2-enoate

C9H16O5 — CID 161101194

IUPACethyl acetate;2-hydroxyethyl prop-2-enoate
SMILESC=CC(=O)OCCO.CCOC(C)=O
InChIInChI=1S/C5H8O3.C4H8O2/c1-2-5(7)8-4-3-6;1-3-6-4(2)5/h2,6H,1,3-4H2;3H2,1-2H3
InChIKeyUILDFKVNGNKYDO-UHFFFAOYSA-N
MW204.22 g/mol
LogP0.28
Rot. Bonds4

About ethyl acetate;2-hydroxyethyl prop-2-enoate

ethyl acetate;2-hydroxyethyl prop-2-enoate (PubChem CID 161101194) has the molecular formula C9H16O5 and a molecular weight of 204.22 g/mol. Its IUPAC name is ethyl acetate;2-hydroxyethyl prop-2-enoate.

Molecular Properties

Compound Nameethyl acetate;2-hydroxyethyl prop-2-enoate
PubChem CID161101194
Molecular FormulaC9H16O5
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Nameethyl acetate;2-hydroxyethyl prop-2-enoate
SMILESC=CC(=O)OCCO.CCOC(C)=O
InChIInChI=1S/C5H8O3.C4H8O2/c1-2-5(7)8-4-3-6;1-3-6-4(2)5/h2,6H,1,3-4H2;3H2,1-2H3
InChIKeyUILDFKVNGNKYDO-UHFFFAOYSA-N
XLogP0.28
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 50.28
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

ethoxyethane;2-hydroxyethyl prop-2-enoate
CID 87338158
2-hydroxyethyl prop-2-enoate;hexakis(prop-1-ene)
CID 173070225
ethyl acetate;prop-2-enoic acid
CID 87362107
2-aminoethanol;2-hydroxyethyl prop-2-enoate
CID 158127048
butyl prop-2-enoate;ethenyl acetate;2-hydroxyethyl prop-2-enoate
CID 158722380
butyl prop-2-enoate;ethyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate
CID 159958630
but-2-enedioic acid;2-hydroxyethyl prop-2-enoate
CID 173025199
2-hydroxyethyl prop-2-enoate;3-hydroxypropyl prop-2-enoate
CID 87909374
2-acetyloxyethyl prop-2-enoate;tris(propan-2-ol);titanium(4+)
CID 11257663
ethenamine;ethyl prop-2-enoate
CID 22022699
ethyl prop-2-enoate;sulfane
CID 157093783
ethyl prop-2-enoate;hydrochloride
CID 87359594

Frequently Asked Questions

What is the IUPAC name of ethyl acetate;2-hydroxyethyl prop-2-enoate?
The IUPAC name of ethyl acetate;2-hydroxyethyl prop-2-enoate (CID 161101194) is ethyl acetate;2-hydroxyethyl prop-2-enoate.
What is the SMILES notation for ethyl acetate;2-hydroxyethyl prop-2-enoate?
The canonical SMILES for ethyl acetate;2-hydroxyethyl prop-2-enoate is C=CC(=O)OCCO.CCOC(C)=O.
What is the InChIKey of ethyl acetate;2-hydroxyethyl prop-2-enoate?
The InChIKey is UILDFKVNGNKYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3.C4H8O2/c1-2-5(7)8-4-3-6;1-3-6-4(2)5/h2,6H,1,3-4H2;3H2,1-2H3.
What are the key properties of ethyl acetate;2-hydroxyethyl prop-2-enoate?
ethyl acetate;2-hydroxyethyl prop-2-enoate has a molecular weight of 204.22 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl acetate;2-hydroxyethyl prop-2-enoate is sourced from PubChem (CID 161101194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).