1-(1-methoxyethoxy)ethyl 2-(prop-2-enoxymethyl)prop-2-enoate

C12H20O5 — CID 134229859

IUPAC1-(1-methoxyethoxy)ethyl 2-(prop-2-enoxymethyl)prop-2-enoate
SMILESC=CCOCC(=C)C(=O)OC(C)OC(C)OC
InChIInChI=1S/C12H20O5/c1-6-7-15-8-9(2)12(13)17-11(4)16-10(3)14-5/h6,10-11H,1-2,7-8H2,3-5H3
InChIKeySCBIUARVTWPEJB-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.64
Rot. Bonds9

About 1-(1-methoxyethoxy)ethyl 2-(prop-2-enoxymethyl)prop-2-enoate

1-(1-methoxyethoxy)ethyl 2-(prop-2-enoxymethyl)prop-2-enoate (PubChem CID 134229859) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-(1-methoxyethoxy)ethyl 2-(prop-2-enoxymethyl)prop-2-enoate.

Molecular Properties

Compound Name1-(1-methoxyethoxy)ethyl 2-(prop-2-enoxymethyl)prop-2-enoate
PubChem CID134229859
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Name1-(1-methoxyethoxy)ethyl 2-(prop-2-enoxymethyl)prop-2-enoate
SMILESC=CCOCC(=C)C(=O)OC(C)OC(C)OC
InChIInChI=1S/C12H20O5/c1-6-7-15-8-9(2)12(13)17-11(4)16-10(3)14-5/h6,10-11H,1-2,7-8H2,3-5H3
InChIKeySCBIUARVTWPEJB-UHFFFAOYSA-N
XLogP1.64
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxyethoxy)ethyl 2-(prop-2-enoxymethyl)prop-2-enoate?
The IUPAC name of 1-(1-methoxyethoxy)ethyl 2-(prop-2-enoxymethyl)prop-2-enoate (CID 134229859) is 1-(1-methoxyethoxy)ethyl 2-(prop-2-enoxymethyl)prop-2-enoate.
What is the SMILES notation for 1-(1-methoxyethoxy)ethyl 2-(prop-2-enoxymethyl)prop-2-enoate?
The canonical SMILES for 1-(1-methoxyethoxy)ethyl 2-(prop-2-enoxymethyl)prop-2-enoate is C=CCOCC(=C)C(=O)OC(C)OC(C)OC.
What is the InChIKey of 1-(1-methoxyethoxy)ethyl 2-(prop-2-enoxymethyl)prop-2-enoate?
The InChIKey is SCBIUARVTWPEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O5/c1-6-7-15-8-9(2)12(13)17-11(4)16-10(3)14-5/h6,10-11H,1-2,7-8H2,3-5H3.
What are the key properties of 1-(1-methoxyethoxy)ethyl 2-(prop-2-enoxymethyl)prop-2-enoate?
1-(1-methoxyethoxy)ethyl 2-(prop-2-enoxymethyl)prop-2-enoate has a molecular weight of 244.29 g/mol, XLogP of 1.64, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxyethoxy)ethyl 2-(prop-2-enoxymethyl)prop-2-enoate is sourced from PubChem (CID 134229859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).