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

C10H18O3 — CID 150039248

IUPAC2-ethyl-2-methyl-4-(prop-1-enoxymethyl)-1,3-dioxolane
SMILESCC=COCC1COC(C)(CC)O1
InChIInChI=1S/C10H18O3/c1-4-6-11-7-9-8-12-10(3,5-2)13-9/h4,6,9H,5,7-8H2,1-3H3
InChIKeyDIXVDQLBJWUQRD-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.08
Rot. Bonds4

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

2-ethyl-2-methyl-4-(prop-1-enoxymethyl)-1,3-dioxolane (PubChem CID 150039248) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-ethyl-2-methyl-4-(prop-1-enoxymethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-ethyl-2-methyl-4-(prop-1-enoxymethyl)-1,3-dioxolane
PubChem CID150039248
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-ethyl-2-methyl-4-(prop-1-enoxymethyl)-1,3-dioxolane
SMILESCC=COCC1COC(C)(CC)O1
InChIInChI=1S/C10H18O3/c1-4-6-11-7-9-8-12-10(3,5-2)13-9/h4,6,9H,5,7-8H2,1-3H3
InChIKeyDIXVDQLBJWUQRD-UHFFFAOYSA-N
XLogP2.08
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-4-(prop-1-enoxymethyl)-1,3-dioxolane?
The IUPAC name of 2-ethyl-2-methyl-4-(prop-1-enoxymethyl)-1,3-dioxolane (CID 150039248) is 2-ethyl-2-methyl-4-(prop-1-enoxymethyl)-1,3-dioxolane.
What is the SMILES notation for 2-ethyl-2-methyl-4-(prop-1-enoxymethyl)-1,3-dioxolane?
The canonical SMILES for 2-ethyl-2-methyl-4-(prop-1-enoxymethyl)-1,3-dioxolane is CC=COCC1COC(C)(CC)O1.
What is the InChIKey of 2-ethyl-2-methyl-4-(prop-1-enoxymethyl)-1,3-dioxolane?
The InChIKey is DIXVDQLBJWUQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-4-6-11-7-9-8-12-10(3,5-2)13-9/h4,6,9H,5,7-8H2,1-3H3.
What are the key properties of 2-ethyl-2-methyl-4-(prop-1-enoxymethyl)-1,3-dioxolane?
2-ethyl-2-methyl-4-(prop-1-enoxymethyl)-1,3-dioxolane has a molecular weight of 186.25 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-4-(prop-1-enoxymethyl)-1,3-dioxolane is sourced from PubChem (CID 150039248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).