methyl 2,2-dimethyl-5-prop-2-enoxy-4H-1,3-dioxine-6-carboxylate

C11H16O5 — CID 134859094

IUPACmethyl 2,2-dimethyl-5-prop-2-enoxy-4H-1,3-dioxine-6-carboxylate
SMILESC=CCOC1=C(C(=O)OC)OC(C)(C)OC1
InChIInChI=1S/C11H16O5/c1-5-6-14-8-7-15-11(2,3)16-9(8)10(12)13-4/h5H,1,6-7H2,2-4H3
InChIKeyGYVRLYQANCWSEA-UHFFFAOYSA-N
MW228.24 g/mol
LogP1.36
Rot. Bonds4

About methyl 2,2-dimethyl-5-prop-2-enoxy-4H-1,3-dioxine-6-carboxylate

methyl 2,2-dimethyl-5-prop-2-enoxy-4H-1,3-dioxine-6-carboxylate (PubChem CID 134859094) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is methyl 2,2-dimethyl-5-prop-2-enoxy-4H-1,3-dioxine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-5-prop-2-enoxy-4H-1,3-dioxine-6-carboxylate
PubChem CID134859094
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Namemethyl 2,2-dimethyl-5-prop-2-enoxy-4H-1,3-dioxine-6-carboxylate
SMILESC=CCOC1=C(C(=O)OC)OC(C)(C)OC1
InChIInChI=1S/C11H16O5/c1-5-6-14-8-7-15-11(2,3)16-9(8)10(12)13-4/h5H,1,6-7H2,2-4H3
InChIKeyGYVRLYQANCWSEA-UHFFFAOYSA-N
XLogP1.36
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-5-prop-2-enoxy-4H-1,3-dioxine-6-carboxylate?
The IUPAC name of methyl 2,2-dimethyl-5-prop-2-enoxy-4H-1,3-dioxine-6-carboxylate (CID 134859094) is methyl 2,2-dimethyl-5-prop-2-enoxy-4H-1,3-dioxine-6-carboxylate.
What is the SMILES notation for methyl 2,2-dimethyl-5-prop-2-enoxy-4H-1,3-dioxine-6-carboxylate?
The canonical SMILES for methyl 2,2-dimethyl-5-prop-2-enoxy-4H-1,3-dioxine-6-carboxylate is C=CCOC1=C(C(=O)OC)OC(C)(C)OC1.
What is the InChIKey of methyl 2,2-dimethyl-5-prop-2-enoxy-4H-1,3-dioxine-6-carboxylate?
The InChIKey is GYVRLYQANCWSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O5/c1-5-6-14-8-7-15-11(2,3)16-9(8)10(12)13-4/h5H,1,6-7H2,2-4H3.
What are the key properties of methyl 2,2-dimethyl-5-prop-2-enoxy-4H-1,3-dioxine-6-carboxylate?
methyl 2,2-dimethyl-5-prop-2-enoxy-4H-1,3-dioxine-6-carboxylate has a molecular weight of 228.24 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-5-prop-2-enoxy-4H-1,3-dioxine-6-carboxylate is sourced from PubChem (CID 134859094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).