dioxan-3-yl 2-(prop-2-enoxymethyl)prop-2-enoate

C11H16O5 — CID 134229846

IUPACdioxan-3-yl 2-(prop-2-enoxymethyl)prop-2-enoate
SMILESC=CCOCC(=C)C(=O)OC1CCCOO1
InChIInChI=1S/C11H16O5/c1-3-6-13-8-9(2)11(12)15-10-5-4-7-14-16-10/h3,10H,1-2,4-8H2
InChIKeyDVWHPFXLMKPTIX-UHFFFAOYSA-N
MW228.24 g/mol
LogP1.36
Rot. Bonds6

About dioxan-3-yl 2-(prop-2-enoxymethyl)prop-2-enoate

dioxan-3-yl 2-(prop-2-enoxymethyl)prop-2-enoate (PubChem CID 134229846) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is dioxan-3-yl 2-(prop-2-enoxymethyl)prop-2-enoate.

Molecular Properties

Compound Namedioxan-3-yl 2-(prop-2-enoxymethyl)prop-2-enoate
PubChem CID134229846
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Namedioxan-3-yl 2-(prop-2-enoxymethyl)prop-2-enoate
SMILESC=CCOCC(=C)C(=O)OC1CCCOO1
InChIInChI=1S/C11H16O5/c1-3-6-13-8-9(2)11(12)15-10-5-4-7-14-16-10/h3,10H,1-2,4-8H2
InChIKeyDVWHPFXLMKPTIX-UHFFFAOYSA-N
XLogP1.36
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 ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dioxan-3-yl 2-(prop-2-enoxymethyl)prop-2-enoate?
The IUPAC name of dioxan-3-yl 2-(prop-2-enoxymethyl)prop-2-enoate (CID 134229846) is dioxan-3-yl 2-(prop-2-enoxymethyl)prop-2-enoate.
What is the SMILES notation for dioxan-3-yl 2-(prop-2-enoxymethyl)prop-2-enoate?
The canonical SMILES for dioxan-3-yl 2-(prop-2-enoxymethyl)prop-2-enoate is C=CCOCC(=C)C(=O)OC1CCCOO1.
What is the InChIKey of dioxan-3-yl 2-(prop-2-enoxymethyl)prop-2-enoate?
The InChIKey is DVWHPFXLMKPTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O5/c1-3-6-13-8-9(2)11(12)15-10-5-4-7-14-16-10/h3,10H,1-2,4-8H2.
What are the key properties of dioxan-3-yl 2-(prop-2-enoxymethyl)prop-2-enoate?
dioxan-3-yl 2-(prop-2-enoxymethyl)prop-2-enoate has a molecular weight of 228.24 g/mol, XLogP of 1.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dioxan-3-yl 2-(prop-2-enoxymethyl)prop-2-enoate is sourced from PubChem (CID 134229846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).