2-ethyl-4-(methoxymethyl)-2-methyl-1,3-dioxolane;prop-1-ene

C11H22O3 — CID 161175478

IUPAC2-ethyl-4-(methoxymethyl)-2-methyl-1,3-dioxolane;prop-1-ene
SMILESC=CC.CCC1(C)OCC(COC)O1
InChIInChI=1S/C8H16O3.C3H6/c1-4-8(2)10-6-7(11-8)5-9-3;1-3-2/h7H,4-6H2,1-3H3;3H,1H2,2H3
InChIKeyURTBEOWYTVDREV-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.37
Rot. Bonds3

About 2-ethyl-4-(methoxymethyl)-2-methyl-1,3-dioxolane;prop-1-ene

2-ethyl-4-(methoxymethyl)-2-methyl-1,3-dioxolane;prop-1-ene (PubChem CID 161175478) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 2-ethyl-4-(methoxymethyl)-2-methyl-1,3-dioxolane;prop-1-ene.

Molecular Properties

Compound Name2-ethyl-4-(methoxymethyl)-2-methyl-1,3-dioxolane;prop-1-ene
PubChem CID161175478
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name2-ethyl-4-(methoxymethyl)-2-methyl-1,3-dioxolane;prop-1-ene
SMILESC=CC.CCC1(C)OCC(COC)O1
InChIInChI=1S/C8H16O3.C3H6/c1-4-8(2)10-6-7(11-8)5-9-3;1-3-2/h7H,4-6H2,1-3H3;3H,1H2,2H3
InChIKeyURTBEOWYTVDREV-UHFFFAOYSA-N
XLogP2.37
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-ethyl-4-(methoxymethyl)-2-methyl-1,3-dioxolane;prop-1-ene?
The IUPAC name of 2-ethyl-4-(methoxymethyl)-2-methyl-1,3-dioxolane;prop-1-ene (CID 161175478) is 2-ethyl-4-(methoxymethyl)-2-methyl-1,3-dioxolane;prop-1-ene.
What is the SMILES notation for 2-ethyl-4-(methoxymethyl)-2-methyl-1,3-dioxolane;prop-1-ene?
The canonical SMILES for 2-ethyl-4-(methoxymethyl)-2-methyl-1,3-dioxolane;prop-1-ene is C=CC.CCC1(C)OCC(COC)O1.
What is the InChIKey of 2-ethyl-4-(methoxymethyl)-2-methyl-1,3-dioxolane;prop-1-ene?
The InChIKey is URTBEOWYTVDREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3.C3H6/c1-4-8(2)10-6-7(11-8)5-9-3;1-3-2/h7H,4-6H2,1-3H3;3H,1H2,2H3.
What are the key properties of 2-ethyl-4-(methoxymethyl)-2-methyl-1,3-dioxolane;prop-1-ene?
2-ethyl-4-(methoxymethyl)-2-methyl-1,3-dioxolane;prop-1-ene has a molecular weight of 202.29 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(methoxymethyl)-2-methyl-1,3-dioxolane;prop-1-ene is sourced from PubChem (CID 161175478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).