4-[[2-methoxy-3-(2-methylprop-2-enoxy)propoxy]methyl]-2-methyl-1,3-dioxolane

C13H24O5 — CID 20697465

IUPAC4-[[2-methoxy-3-(2-methylprop-2-enoxy)propoxy]methyl]-2-methyl-1,3-dioxolane
SMILESC=C(C)COCC(COCC1COC(C)O1)OC
InChIInChI=1S/C13H24O5/c1-10(2)5-15-6-12(14-4)7-16-8-13-9-17-11(3)18-13/h11-13H,1,5-9H2,2-4H3
InChIKeyXYNOWIGWBMBNMJ-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.37
Rot. Bonds9

About 4-[[2-methoxy-3-(2-methylprop-2-enoxy)propoxy]methyl]-2-methyl-1,3-dioxolane

4-[[2-methoxy-3-(2-methylprop-2-enoxy)propoxy]methyl]-2-methyl-1,3-dioxolane (PubChem CID 20697465) has the molecular formula C13H24O5 and a molecular weight of 260.33 g/mol. Its IUPAC name is 4-[[2-methoxy-3-(2-methylprop-2-enoxy)propoxy]methyl]-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name4-[[2-methoxy-3-(2-methylprop-2-enoxy)propoxy]methyl]-2-methyl-1,3-dioxolane
PubChem CID20697465
Molecular FormulaC13H24O5
Molecular Weight260.33 g/mol
Exact Mass260.16
IUPAC Name4-[[2-methoxy-3-(2-methylprop-2-enoxy)propoxy]methyl]-2-methyl-1,3-dioxolane
SMILESC=C(C)COCC(COCC1COC(C)O1)OC
InChIInChI=1S/C13H24O5/c1-10(2)5-15-6-12(14-4)7-16-8-13-9-17-11(3)18-13/h11-13H,1,5-9H2,2-4H3
InChIKeyXYNOWIGWBMBNMJ-UHFFFAOYSA-N
XLogP1.37
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.37
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 4-[[2-methoxy-3-(2-methylprop-2-enoxy)propoxy]methyl]-2-methyl-1,3-dioxolane?
The IUPAC name of 4-[[2-methoxy-3-(2-methylprop-2-enoxy)propoxy]methyl]-2-methyl-1,3-dioxolane (CID 20697465) is 4-[[2-methoxy-3-(2-methylprop-2-enoxy)propoxy]methyl]-2-methyl-1,3-dioxolane.
What is the SMILES notation for 4-[[2-methoxy-3-(2-methylprop-2-enoxy)propoxy]methyl]-2-methyl-1,3-dioxolane?
The canonical SMILES for 4-[[2-methoxy-3-(2-methylprop-2-enoxy)propoxy]methyl]-2-methyl-1,3-dioxolane is C=C(C)COCC(COCC1COC(C)O1)OC.
What is the InChIKey of 4-[[2-methoxy-3-(2-methylprop-2-enoxy)propoxy]methyl]-2-methyl-1,3-dioxolane?
The InChIKey is XYNOWIGWBMBNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O5/c1-10(2)5-15-6-12(14-4)7-16-8-13-9-17-11(3)18-13/h11-13H,1,5-9H2,2-4H3.
What are the key properties of 4-[[2-methoxy-3-(2-methylprop-2-enoxy)propoxy]methyl]-2-methyl-1,3-dioxolane?
4-[[2-methoxy-3-(2-methylprop-2-enoxy)propoxy]methyl]-2-methyl-1,3-dioxolane has a molecular weight of 260.33 g/mol, XLogP of 1.37, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methoxy-3-(2-methylprop-2-enoxy)propoxy]methyl]-2-methyl-1,3-dioxolane is sourced from PubChem (CID 20697465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).