4-[(2-ethoxy-3-prop-2-enoxypropoxy)methyl]-2,2-dimethyl-1,3-dioxolane

C14H26O5 — CID 22085610

IUPAC4-[(2-ethoxy-3-prop-2-enoxypropoxy)methyl]-2,2-dimethyl-1,3-dioxolane
SMILESC=CCOCC(COCC1COC(C)(C)O1)OCC
InChIInChI=1S/C14H26O5/c1-5-7-15-8-12(17-6-2)9-16-10-13-11-18-14(3,4)19-13/h5,12-13H,1,6-11H2,2-4H3
InChIKeyXWEKHRTVVYQKNL-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.76
Rot. Bonds10

About 4-[(2-ethoxy-3-prop-2-enoxypropoxy)methyl]-2,2-dimethyl-1,3-dioxolane

4-[(2-ethoxy-3-prop-2-enoxypropoxy)methyl]-2,2-dimethyl-1,3-dioxolane (PubChem CID 22085610) has the molecular formula C14H26O5 and a molecular weight of 274.36 g/mol. Its IUPAC name is 4-[(2-ethoxy-3-prop-2-enoxypropoxy)methyl]-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name4-[(2-ethoxy-3-prop-2-enoxypropoxy)methyl]-2,2-dimethyl-1,3-dioxolane
PubChem CID22085610
Molecular FormulaC14H26O5
Molecular Weight274.36 g/mol
Exact Mass274.18
IUPAC Name4-[(2-ethoxy-3-prop-2-enoxypropoxy)methyl]-2,2-dimethyl-1,3-dioxolane
SMILESC=CCOCC(COCC1COC(C)(C)O1)OCC
InChIInChI=1S/C14H26O5/c1-5-7-15-8-12(17-6-2)9-16-10-13-11-18-14(3,4)19-13/h5,12-13H,1,6-11H2,2-4H3
InChIKeyXWEKHRTVVYQKNL-UHFFFAOYSA-N
XLogP1.76
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.76
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethoxy-3-prop-2-enoxypropoxy)methyl]-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of 4-[(2-ethoxy-3-prop-2-enoxypropoxy)methyl]-2,2-dimethyl-1,3-dioxolane (CID 22085610) is 4-[(2-ethoxy-3-prop-2-enoxypropoxy)methyl]-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for 4-[(2-ethoxy-3-prop-2-enoxypropoxy)methyl]-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for 4-[(2-ethoxy-3-prop-2-enoxypropoxy)methyl]-2,2-dimethyl-1,3-dioxolane is C=CCOCC(COCC1COC(C)(C)O1)OCC.
What is the InChIKey of 4-[(2-ethoxy-3-prop-2-enoxypropoxy)methyl]-2,2-dimethyl-1,3-dioxolane?
The InChIKey is XWEKHRTVVYQKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O5/c1-5-7-15-8-12(17-6-2)9-16-10-13-11-18-14(3,4)19-13/h5,12-13H,1,6-11H2,2-4H3.
What are the key properties of 4-[(2-ethoxy-3-prop-2-enoxypropoxy)methyl]-2,2-dimethyl-1,3-dioxolane?
4-[(2-ethoxy-3-prop-2-enoxypropoxy)methyl]-2,2-dimethyl-1,3-dioxolane has a molecular weight of 274.36 g/mol, XLogP of 1.76, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethoxy-3-prop-2-enoxypropoxy)methyl]-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 22085610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).