2-methoxy-2-methyl-4-(prop-2-enoxymethyl)-1,3-dioxolane

C9H16O4 — CID 11052388

IUPAC2-methoxy-2-methyl-4-(prop-2-enoxymethyl)-1,3-dioxolane
SMILESC=CCOCC1COC(C)(OC)O1
InChIInChI=1S/C9H16O4/c1-4-5-11-6-8-7-12-9(2,10-3)13-8/h4,8H,1,5-7H2,2-3H3
InChIKeyIMUCYGBTRKYMEA-UHFFFAOYSA-N
MW188.22 g/mol
LogP0.92
Rot. Bonds5

About 2-methoxy-2-methyl-4-(prop-2-enoxymethyl)-1,3-dioxolane

2-methoxy-2-methyl-4-(prop-2-enoxymethyl)-1,3-dioxolane (PubChem CID 11052388) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 2-methoxy-2-methyl-4-(prop-2-enoxymethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-methoxy-2-methyl-4-(prop-2-enoxymethyl)-1,3-dioxolane
PubChem CID11052388
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name2-methoxy-2-methyl-4-(prop-2-enoxymethyl)-1,3-dioxolane
SMILESC=CCOCC1COC(C)(OC)O1
InChIInChI=1S/C9H16O4/c1-4-5-11-6-8-7-12-9(2,10-3)13-8/h4,8H,1,5-7H2,2-3H3
InChIKeyIMUCYGBTRKYMEA-UHFFFAOYSA-N
XLogP0.92
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-methoxy-2-methyl-4-(prop-2-enoxymethyl)-1,3-dioxolane?
The IUPAC name of 2-methoxy-2-methyl-4-(prop-2-enoxymethyl)-1,3-dioxolane (CID 11052388) is 2-methoxy-2-methyl-4-(prop-2-enoxymethyl)-1,3-dioxolane.
What is the SMILES notation for 2-methoxy-2-methyl-4-(prop-2-enoxymethyl)-1,3-dioxolane?
The canonical SMILES for 2-methoxy-2-methyl-4-(prop-2-enoxymethyl)-1,3-dioxolane is C=CCOCC1COC(C)(OC)O1.
What is the InChIKey of 2-methoxy-2-methyl-4-(prop-2-enoxymethyl)-1,3-dioxolane?
The InChIKey is IMUCYGBTRKYMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-4-5-11-6-8-7-12-9(2,10-3)13-8/h4,8H,1,5-7H2,2-3H3.
What are the key properties of 2-methoxy-2-methyl-4-(prop-2-enoxymethyl)-1,3-dioxolane?
2-methoxy-2-methyl-4-(prop-2-enoxymethyl)-1,3-dioxolane has a molecular weight of 188.22 g/mol, XLogP of 0.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-4-(prop-2-enoxymethyl)-1,3-dioxolane is sourced from PubChem (CID 11052388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).