prop-2-enoxymethyl 2-(1,4-dioxan-2-yl)prop-2-enoate

C11H16O5 — CID 66662623

IUPACprop-2-enoxymethyl 2-(1,4-dioxan-2-yl)prop-2-enoate
SMILESC=CCOCOC(=O)C(=C)C1COCCO1
InChIInChI=1S/C11H16O5/c1-3-4-14-8-16-11(12)9(2)10-7-13-5-6-15-10/h3,10H,1-2,4-8H2
InChIKeyXLBHNKAXKYKOLZ-UHFFFAOYSA-N
MW228.24 g/mol
LogP0.66
Rot. Bonds6

About prop-2-enoxymethyl 2-(1,4-dioxan-2-yl)prop-2-enoate

prop-2-enoxymethyl 2-(1,4-dioxan-2-yl)prop-2-enoate (PubChem CID 66662623) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is prop-2-enoxymethyl 2-(1,4-dioxan-2-yl)prop-2-enoate.

Molecular Properties

Compound Nameprop-2-enoxymethyl 2-(1,4-dioxan-2-yl)prop-2-enoate
PubChem CID66662623
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Nameprop-2-enoxymethyl 2-(1,4-dioxan-2-yl)prop-2-enoate
SMILESC=CCOCOC(=O)C(=C)C1COCCO1
InChIInChI=1S/C11H16O5/c1-3-4-14-8-16-11(12)9(2)10-7-13-5-6-15-10/h3,10H,1-2,4-8H2
InChIKeyXLBHNKAXKYKOLZ-UHFFFAOYSA-N
XLogP0.66
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 50.66
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 prop-2-enoxymethyl 2-(1,4-dioxan-2-yl)prop-2-enoate?
The IUPAC name of prop-2-enoxymethyl 2-(1,4-dioxan-2-yl)prop-2-enoate (CID 66662623) is prop-2-enoxymethyl 2-(1,4-dioxan-2-yl)prop-2-enoate.
What is the SMILES notation for prop-2-enoxymethyl 2-(1,4-dioxan-2-yl)prop-2-enoate?
The canonical SMILES for prop-2-enoxymethyl 2-(1,4-dioxan-2-yl)prop-2-enoate is C=CCOCOC(=O)C(=C)C1COCCO1.
What is the InChIKey of prop-2-enoxymethyl 2-(1,4-dioxan-2-yl)prop-2-enoate?
The InChIKey is XLBHNKAXKYKOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O5/c1-3-4-14-8-16-11(12)9(2)10-7-13-5-6-15-10/h3,10H,1-2,4-8H2.
What are the key properties of prop-2-enoxymethyl 2-(1,4-dioxan-2-yl)prop-2-enoate?
prop-2-enoxymethyl 2-(1,4-dioxan-2-yl)prop-2-enoate has a molecular weight of 228.24 g/mol, XLogP of 0.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enoxymethyl 2-(1,4-dioxan-2-yl)prop-2-enoate is sourced from PubChem (CID 66662623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).