ethane-1,2-diol;prop-2-enoyloxymethyl prop-2-enoate

C9H14O6 — CID 138520908

IUPACethane-1,2-diol;prop-2-enoyloxymethyl prop-2-enoate
SMILESC=CC(=O)OCOC(=O)C=C.OCCO
InChIInChI=1S/C7H8O4.C2H6O2/c1-3-6(8)10-5-11-7(9)4-2;3-1-2-4/h3-4H,1-2,5H2;3-4H,1-2H2
InChIKeyUEYSOYPYUYKCLG-UHFFFAOYSA-N
MW218.20 g/mol
LogP-0.63
Rot. Bonds5

About ethane-1,2-diol;prop-2-enoyloxymethyl prop-2-enoate

ethane-1,2-diol;prop-2-enoyloxymethyl prop-2-enoate (PubChem CID 138520908) has the molecular formula C9H14O6 and a molecular weight of 218.20 g/mol. Its IUPAC name is ethane-1,2-diol;prop-2-enoyloxymethyl prop-2-enoate.

Molecular Properties

Compound Nameethane-1,2-diol;prop-2-enoyloxymethyl prop-2-enoate
PubChem CID138520908
Molecular FormulaC9H14O6
Molecular Weight218.20 g/mol
Exact Mass218.08
IUPAC Nameethane-1,2-diol;prop-2-enoyloxymethyl prop-2-enoate
SMILESC=CC(=O)OCOC(=O)C=C.OCCO
InChIInChI=1S/C7H8O4.C2H6O2/c1-3-6(8)10-5-11-7(9)4-2;3-1-2-4/h3-4H,1-2,5H2;3-4H,1-2H2
InChIKeyUEYSOYPYUYKCLG-UHFFFAOYSA-N
XLogP-0.63
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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

2-hydroxyethoxymethyl prop-2-enoate
CID 140530940
ethane-1,2-diol;prop-2-enoyl chloride;2-prop-2-enoyloxyethyl prop-2-enoate
CID 160715574
[2-(2-hydroxyacetyl)oxyacetyl]oxymethyl prop-2-enoate;methane
CID 161479127
hydroxymethyl prop-2-enoate;hydrate
CID 88522890
2-aminoethanol;2-hydroxyethyl prop-2-enoate
CID 158127048
prop-2-enylperoxymethyl prop-2-enoate
CID 23533185
2-hydroxyethyl prop-2-enoate;hexakis(prop-1-ene)
CID 173070225
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
10-hydroxydecyl prop-2-enoate
CID 14715958
but-2-enedioic acid;2-hydroxyethyl prop-2-enoate
CID 173025199
2-hydroxyethyl prop-2-enoate;3-hydroxypropyl prop-2-enoate
CID 87909374
11-hydroxyundecyl prop-2-enoate
CID 54223498

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;prop-2-enoyloxymethyl prop-2-enoate?
The IUPAC name of ethane-1,2-diol;prop-2-enoyloxymethyl prop-2-enoate (CID 138520908) is ethane-1,2-diol;prop-2-enoyloxymethyl prop-2-enoate.
What is the SMILES notation for ethane-1,2-diol;prop-2-enoyloxymethyl prop-2-enoate?
The canonical SMILES for ethane-1,2-diol;prop-2-enoyloxymethyl prop-2-enoate is C=CC(=O)OCOC(=O)C=C.OCCO.
What is the InChIKey of ethane-1,2-diol;prop-2-enoyloxymethyl prop-2-enoate?
The InChIKey is UEYSOYPYUYKCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O4.C2H6O2/c1-3-6(8)10-5-11-7(9)4-2;3-1-2-4/h3-4H,1-2,5H2;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;prop-2-enoyloxymethyl prop-2-enoate?
ethane-1,2-diol;prop-2-enoyloxymethyl prop-2-enoate has a molecular weight of 218.20 g/mol, XLogP of -0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;prop-2-enoyloxymethyl prop-2-enoate is sourced from PubChem (CID 138520908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).