2-[2-(hydroxymethyl)-3-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate

C14H22O7 — CID 89425808

IUPAC2-[2-(hydroxymethyl)-3-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOCC(CO)COCCOC(=O)C=C
InChIInChI=1S/C14H22O7/c1-3-13(16)20-7-5-18-10-12(9-15)11-19-6-8-21-14(17)4-2/h3-4,12,15H,1-2,5-11H2
InChIKeyFGRAXLBILROYIS-UHFFFAOYSA-N
MW302.32 g/mol
LogP0.09
Rot. Bonds13

About 2-[2-(hydroxymethyl)-3-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate

2-[2-(hydroxymethyl)-3-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate (PubChem CID 89425808) has the molecular formula C14H22O7 and a molecular weight of 302.32 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-3-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-3-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate
PubChem CID89425808
Molecular FormulaC14H22O7
Molecular Weight302.32 g/mol
Exact Mass302.14
IUPAC Name2-[2-(hydroxymethyl)-3-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOCC(CO)COCCOC(=O)C=C
InChIInChI=1S/C14H22O7/c1-3-13(16)20-7-5-18-10-12(9-15)11-19-6-8-21-14(17)4-2/h3-4,12,15H,1-2,5-11H2
InChIKeyFGRAXLBILROYIS-UHFFFAOYSA-N
XLogP0.09
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(2-prop-2-enoyloxyethoxymethyl)propanedioic acid
CID 172861993
2-(2-aminopropoxy)ethyl prop-2-enoate
CID 54040503
2-[2,2-bis(ethenoxy)ethoxy]ethyl prop-2-enoate
CID 176551024
2-(2-bromopropoxy)ethyl prop-2-enoate
CID 57007921
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]ethyl prop-2-enoate
CID 135130326
2-(2-hydroperoxypropoxy)ethyl prop-2-enoate
CID 118433563
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
2-(3-hydroxypropoxy)ethyl prop-2-enoate
CID 59345604
bis(prop-1-ene);2-[2-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate
CID 118062251
2-[2-[2-(2-prop-2-enoyloxyethoxy)propoxy]propoxy]ethyl prop-2-enoate
CID 154586565
2-[2-[2-[6-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]hexoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 101134249
2-[2-[2-[2-[2-[2-[2-[2-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 59511003

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-3-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate?
The IUPAC name of 2-[2-(hydroxymethyl)-3-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate (CID 89425808) is 2-[2-(hydroxymethyl)-3-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate.
What is the SMILES notation for 2-[2-(hydroxymethyl)-3-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate?
The canonical SMILES for 2-[2-(hydroxymethyl)-3-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate is C=CC(=O)OCCOCC(CO)COCCOC(=O)C=C.
What is the InChIKey of 2-[2-(hydroxymethyl)-3-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate?
The InChIKey is FGRAXLBILROYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O7/c1-3-13(16)20-7-5-18-10-12(9-15)11-19-6-8-21-14(17)4-2/h3-4,12,15H,1-2,5-11H2.
What are the key properties of 2-[2-(hydroxymethyl)-3-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate?
2-[2-(hydroxymethyl)-3-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate has a molecular weight of 302.32 g/mol, XLogP of 0.09, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-3-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate is sourced from PubChem (CID 89425808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).