2-[2-(methoxymethoxy)pent-4-enyl]-2-methyl-1,3-dioxolane

C11H20O4 — CID 71426336

IUPAC2-[2-(methoxymethoxy)pent-4-enyl]-2-methyl-1,3-dioxolane
SMILESC=CCC(CC1(C)OCCO1)OCOC
InChIInChI=1S/C11H20O4/c1-4-5-10(13-9-12-3)8-11(2)14-6-7-15-11/h4,10H,1,5-9H2,2-3H3
InChIKeyVBDLLBVKTIRHED-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.70
Rot. Bonds7

About 2-[2-(methoxymethoxy)pent-4-enyl]-2-methyl-1,3-dioxolane

2-[2-(methoxymethoxy)pent-4-enyl]-2-methyl-1,3-dioxolane (PubChem CID 71426336) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[2-(methoxymethoxy)pent-4-enyl]-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-[2-(methoxymethoxy)pent-4-enyl]-2-methyl-1,3-dioxolane
PubChem CID71426336
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name2-[2-(methoxymethoxy)pent-4-enyl]-2-methyl-1,3-dioxolane
SMILESC=CCC(CC1(C)OCCO1)OCOC
InChIInChI=1S/C11H20O4/c1-4-5-10(13-9-12-3)8-11(2)14-6-7-15-11/h4,10H,1,5-9H2,2-3H3
InChIKeyVBDLLBVKTIRHED-UHFFFAOYSA-N
XLogP1.70
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methoxymethoxy)pent-4-enyl]-2-methyl-1,3-dioxolane?
The IUPAC name of 2-[2-(methoxymethoxy)pent-4-enyl]-2-methyl-1,3-dioxolane (CID 71426336) is 2-[2-(methoxymethoxy)pent-4-enyl]-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-[2-(methoxymethoxy)pent-4-enyl]-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-[2-(methoxymethoxy)pent-4-enyl]-2-methyl-1,3-dioxolane is C=CCC(CC1(C)OCCO1)OCOC.
What is the InChIKey of 2-[2-(methoxymethoxy)pent-4-enyl]-2-methyl-1,3-dioxolane?
The InChIKey is VBDLLBVKTIRHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-4-5-10(13-9-12-3)8-11(2)14-6-7-15-11/h4,10H,1,5-9H2,2-3H3.
What are the key properties of 2-[2-(methoxymethoxy)pent-4-enyl]-2-methyl-1,3-dioxolane?
2-[2-(methoxymethoxy)pent-4-enyl]-2-methyl-1,3-dioxolane has a molecular weight of 216.28 g/mol, XLogP of 1.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methoxymethoxy)pent-4-enyl]-2-methyl-1,3-dioxolane is sourced from PubChem (CID 71426336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).