ethoxyethane;2-hydroxyethyl prop-2-enoate

C9H18O4 — CID 87338158

IUPACethoxyethane;2-hydroxyethyl prop-2-enoate
SMILESC=CC(=O)OCCO.CCOCC
InChIInChI=1S/C5H8O3.C4H10O/c1-2-5(7)8-4-3-6;1-3-5-4-2/h2,6H,1,3-4H2;3-4H2,1-2H3
InChIKeyNBQQQNGNENTJRL-UHFFFAOYSA-N
MW190.24 g/mol
LogP0.75
Rot. Bonds5

About ethoxyethane;2-hydroxyethyl prop-2-enoate

ethoxyethane;2-hydroxyethyl prop-2-enoate (PubChem CID 87338158) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is ethoxyethane;2-hydroxyethyl prop-2-enoate.

Molecular Properties

Compound Nameethoxyethane;2-hydroxyethyl prop-2-enoate
PubChem CID87338158
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Nameethoxyethane;2-hydroxyethyl prop-2-enoate
SMILESC=CC(=O)OCCO.CCOCC
InChIInChI=1S/C5H8O3.C4H10O/c1-2-5(7)8-4-3-6;1-3-5-4-2/h2,6H,1,3-4H2;3-4H2,1-2H3
InChIKeyNBQQQNGNENTJRL-UHFFFAOYSA-N
XLogP0.75
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane-1,2-diol;ethoxyethane;4-prop-2-enoyloxybutyl prop-2-enoate
CID 155023920
2-hydroxyethyl prop-2-enoate;hexakis(prop-1-ene)
CID 173070225
ethyl acetate;2-hydroxyethyl prop-2-enoate
CID 161101194
2-aminoethanol;2-hydroxyethyl prop-2-enoate
CID 158127048
but-2-enedioic acid;2-hydroxyethyl prop-2-enoate
CID 173025199
2-hydroxyethyl prop-2-enoate;3-hydroxypropyl prop-2-enoate
CID 87909374
6-ethoxyhexyl prop-2-enoate
CID 88877184
4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(4-ethoxybutoxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butyl prop-2-enoate
CID 22918013
ethoxyethane;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;prop-2-enamide
CID 135223188
bis(hex-1-ene);2-hydroxyethyl prop-2-enoate
CID 87914321
2-hydroxyethyl prop-2-enoate;isocyanic acid
CID 88778139
2-hydroxyethyl prop-2-enoate sulfate
CID 20566072

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;2-hydroxyethyl prop-2-enoate?
The IUPAC name of ethoxyethane;2-hydroxyethyl prop-2-enoate (CID 87338158) is ethoxyethane;2-hydroxyethyl prop-2-enoate.
What is the SMILES notation for ethoxyethane;2-hydroxyethyl prop-2-enoate?
The canonical SMILES for ethoxyethane;2-hydroxyethyl prop-2-enoate is C=CC(=O)OCCO.CCOCC.
What is the InChIKey of ethoxyethane;2-hydroxyethyl prop-2-enoate?
The InChIKey is NBQQQNGNENTJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3.C4H10O/c1-2-5(7)8-4-3-6;1-3-5-4-2/h2,6H,1,3-4H2;3-4H2,1-2H3.
What are the key properties of ethoxyethane;2-hydroxyethyl prop-2-enoate?
ethoxyethane;2-hydroxyethyl prop-2-enoate has a molecular weight of 190.24 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;2-hydroxyethyl prop-2-enoate is sourced from PubChem (CID 87338158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).