2-hydroxyethoxymethyl prop-2-enoate

C6H10O4 — CID 140530940

IUPAC2-hydroxyethoxymethyl prop-2-enoate
SMILESC=CC(=O)OCOCCO
InChIInChI=1S/C6H10O4/c1-2-6(8)10-5-9-4-3-7/h2,7H,1,3-5H2
InChIKeyXOODDDSYHGHORV-UHFFFAOYSA-N
MW146.14 g/mol
LogP-0.32
Rot. Bonds5

About 2-hydroxyethoxymethyl prop-2-enoate

2-hydroxyethoxymethyl prop-2-enoate (PubChem CID 140530940) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is 2-hydroxyethoxymethyl prop-2-enoate.

Molecular Properties

Compound Name2-hydroxyethoxymethyl prop-2-enoate
PubChem CID140530940
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name2-hydroxyethoxymethyl prop-2-enoate
SMILESC=CC(=O)OCOCCO
InChIInChI=1S/C6H10O4/c1-2-6(8)10-5-9-4-3-7/h2,7H,1,3-5H2
InChIKeyXOODDDSYHGHORV-UHFFFAOYSA-N
XLogP-0.32
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethane-1,2-diol;prop-2-enoyloxymethyl prop-2-enoate
CID 138520908
2-aminoethanol;2-hydroxyethyl prop-2-enoate
CID 158127048
2-hydroxyethyl prop-2-enoate;hexakis(prop-1-ene)
CID 173070225
ethoxyethane;2-hydroxyethyl prop-2-enoate
CID 87338158
but-2-enedioic acid;2-hydroxyethyl prop-2-enoate
CID 173025199
2-hydroxyethyl prop-2-enoate;3-hydroxypropyl prop-2-enoate
CID 87909374
2-(2-hydroxyethoxy)ethanol;bis(methyl prop-2-enoate)
CID 160785980
2-[2-(2-hydroxyethoxymethyl)-3-(2-prop-2-enoyloxyethoxy)-2-[[3-(2-prop-2-enoyloxyethoxy)-2,2-bis(2-prop-2-enoyloxyethoxymethyl)propoxy]methyl]propoxy]ethyl prop-2-enoate;bis(2-[3-(2-prop-2-enoyloxyethoxy)-2-[[3-(2-prop-2-enoyloxyethoxy)-2,2-bis(2-prop-2-enoyloxyethoxymethyl)propoxy]methyl]-2-(2-prop-2-enoyloxyethoxymethyl)propoxy]ethyl prop-2-enoate)
CID 159661893
2-hydroxyethyl prop-2-enoate;isocyanic acid
CID 88778139
2-hydroxyethyl prop-2-enoate sulfate
CID 20566072
2-(2-hydroxyethoxy)ethanol;hexakis(prop-2-enoic acid)
CID 161223084
tris(2-(2-hydroxyethoxy)ethanol);prop-2-enoic acid
CID 173161681

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethoxymethyl prop-2-enoate?
The IUPAC name of 2-hydroxyethoxymethyl prop-2-enoate (CID 140530940) is 2-hydroxyethoxymethyl prop-2-enoate.
What is the SMILES notation for 2-hydroxyethoxymethyl prop-2-enoate?
The canonical SMILES for 2-hydroxyethoxymethyl prop-2-enoate is C=CC(=O)OCOCCO.
What is the InChIKey of 2-hydroxyethoxymethyl prop-2-enoate?
The InChIKey is XOODDDSYHGHORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4/c1-2-6(8)10-5-9-4-3-7/h2,7H,1,3-5H2.
What are the key properties of 2-hydroxyethoxymethyl prop-2-enoate?
2-hydroxyethoxymethyl prop-2-enoate has a molecular weight of 146.14 g/mol, XLogP of -0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethoxymethyl prop-2-enoate is sourced from PubChem (CID 140530940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).