2-[1-(2-methylprop-1-enoxy)ethyl]-1,4-dioxane

C10H18O3 — CID 176604601

IUPAC2-[1-(2-methylprop-1-enoxy)ethyl]-1,4-dioxane
SMILESCC(C)=COC(C)C1COCCO1
InChIInChI=1S/C10H18O3/c1-8(2)6-13-9(3)10-7-11-4-5-12-10/h6,9-10H,4-5,7H2,1-3H3
InChIKeyUPNWOLRTVHQBRA-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.73
Rot. Bonds3

About 2-[1-(2-methylprop-1-enoxy)ethyl]-1,4-dioxane

2-[1-(2-methylprop-1-enoxy)ethyl]-1,4-dioxane (PubChem CID 176604601) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-[1-(2-methylprop-1-enoxy)ethyl]-1,4-dioxane.

Molecular Properties

Compound Name2-[1-(2-methylprop-1-enoxy)ethyl]-1,4-dioxane
PubChem CID176604601
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-[1-(2-methylprop-1-enoxy)ethyl]-1,4-dioxane
SMILESCC(C)=COC(C)C1COCCO1
InChIInChI=1S/C10H18O3/c1-8(2)6-13-9(3)10-7-11-4-5-12-10/h6,9-10H,4-5,7H2,1-3H3
InChIKeyUPNWOLRTVHQBRA-UHFFFAOYSA-N
XLogP1.73
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.73
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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Related Compounds

1-[2-(2-Methylprop-1-enoxy)ethoxy]butane
CID 22234797
2-Methyl-1-[2-(2-methylprop-1-enoxy)propoxy]prop-1-ene
CID 87658950
1,3-Bis(2-methylprop-1-enoxy)butane
CID 87658980
1-[2,3-Bis(2-methylprop-1-enoxy)propoxy]-2-methylprop-1-ene
CID 87659581
1,2,4,6-Tetramethyl-2,3-dihydro-1,4-dioxine-1,4-diium
CID 123552627
2-(2-Methylprop-1-enoxy)ethoxycyclobutane
CID 151499335
2-Ethyl-2-(2-methylprop-1-enoxymethyl)-1,4-dioxane
CID 176602940
2-[3-(2-Methylprop-1-enoxy)propyl]-1,4-dioxane
CID 176603280
2-(2-Methylprop-1-enoxymethyl)-1,4-dioxane
CID 176603486
3-(2-Methylprop-1-enoxy)oxolane
CID 176603502
2-Methyl-2-[2-(2-methylprop-1-enoxy)ethyl]-1,4-dioxane
CID 176603575
3-(2-Methylprop-1-enoxy)oxane
CID 176604011

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylprop-1-enoxy)ethyl]-1,4-dioxane?
The IUPAC name of 2-[1-(2-methylprop-1-enoxy)ethyl]-1,4-dioxane (CID 176604601) is 2-[1-(2-methylprop-1-enoxy)ethyl]-1,4-dioxane.
What is the SMILES notation for 2-[1-(2-methylprop-1-enoxy)ethyl]-1,4-dioxane?
The canonical SMILES for 2-[1-(2-methylprop-1-enoxy)ethyl]-1,4-dioxane is CC(C)=COC(C)C1COCCO1.
What is the InChIKey of 2-[1-(2-methylprop-1-enoxy)ethyl]-1,4-dioxane?
The InChIKey is UPNWOLRTVHQBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-8(2)6-13-9(3)10-7-11-4-5-12-10/h6,9-10H,4-5,7H2,1-3H3.
What are the key properties of 2-[1-(2-methylprop-1-enoxy)ethyl]-1,4-dioxane?
2-[1-(2-methylprop-1-enoxy)ethyl]-1,4-dioxane has a molecular weight of 186.25 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylprop-1-enoxy)ethyl]-1,4-dioxane is sourced from PubChem (CID 176604601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).