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

C13H24O5 — CID 20697472

IUPAC4-[(2-methoxy-3-prop-2-enoxypropoxy)methyl]-2,2-dimethyl-1,3-dioxolane
SMILESC=CCOCC(COCC1COC(C)(C)O1)OC
InChIInChI=1S/C13H24O5/c1-5-6-15-7-11(14-4)8-16-9-12-10-17-13(2,3)18-12/h5,11-12H,1,6-10H2,2-4H3
InChIKeyDGGKGKPMWZDDQE-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.37
Rot. Bonds9

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

4-[(2-methoxy-3-prop-2-enoxypropoxy)methyl]-2,2-dimethyl-1,3-dioxolane (PubChem CID 20697472) has the molecular formula C13H24O5 and a molecular weight of 260.33 g/mol. Its IUPAC name is 4-[(2-methoxy-3-prop-2-enoxypropoxy)methyl]-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name4-[(2-methoxy-3-prop-2-enoxypropoxy)methyl]-2,2-dimethyl-1,3-dioxolane
PubChem CID20697472
Molecular FormulaC13H24O5
Molecular Weight260.33 g/mol
Exact Mass260.16
IUPAC Name4-[(2-methoxy-3-prop-2-enoxypropoxy)methyl]-2,2-dimethyl-1,3-dioxolane
SMILESC=CCOCC(COCC1COC(C)(C)O1)OC
InChIInChI=1S/C13H24O5/c1-5-6-15-7-11(14-4)8-16-9-12-10-17-13(2,3)18-12/h5,11-12H,1,6-10H2,2-4H3
InChIKeyDGGKGKPMWZDDQE-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': '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-methoxy-3-prop-2-enoxypropoxy)methyl]-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of 4-[(2-methoxy-3-prop-2-enoxypropoxy)methyl]-2,2-dimethyl-1,3-dioxolane (CID 20697472) is 4-[(2-methoxy-3-prop-2-enoxypropoxy)methyl]-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for 4-[(2-methoxy-3-prop-2-enoxypropoxy)methyl]-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for 4-[(2-methoxy-3-prop-2-enoxypropoxy)methyl]-2,2-dimethyl-1,3-dioxolane is C=CCOCC(COCC1COC(C)(C)O1)OC.
What is the InChIKey of 4-[(2-methoxy-3-prop-2-enoxypropoxy)methyl]-2,2-dimethyl-1,3-dioxolane?
The InChIKey is DGGKGKPMWZDDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O5/c1-5-6-15-7-11(14-4)8-16-9-12-10-17-13(2,3)18-12/h5,11-12H,1,6-10H2,2-4H3.
What are the key properties of 4-[(2-methoxy-3-prop-2-enoxypropoxy)methyl]-2,2-dimethyl-1,3-dioxolane?
4-[(2-methoxy-3-prop-2-enoxypropoxy)methyl]-2,2-dimethyl-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-prop-2-enoxypropoxy)methyl]-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 20697472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).