2-[3-(2-methylprop-1-enoxy)propyl]-1,4-dioxane

C11H20O3 — CID 176603280

IUPAC2-[3-(2-methylprop-1-enoxy)propyl]-1,4-dioxane
SMILESCC(C)=COCCCC1COCCO1
InChIInChI=1S/C11H20O3/c1-10(2)8-12-5-3-4-11-9-13-6-7-14-11/h8,11H,3-7,9H2,1-2H3
InChIKeyKOMOZYQHUBCUGG-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.12
Rot. Bonds5

About 2-[3-(2-methylprop-1-enoxy)propyl]-1,4-dioxane

2-[3-(2-methylprop-1-enoxy)propyl]-1,4-dioxane (PubChem CID 176603280) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-[3-(2-methylprop-1-enoxy)propyl]-1,4-dioxane.

Molecular Properties

Compound Name2-[3-(2-methylprop-1-enoxy)propyl]-1,4-dioxane
PubChem CID176603280
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name2-[3-(2-methylprop-1-enoxy)propyl]-1,4-dioxane
SMILESCC(C)=COCCCC1COCCO1
InChIInChI=1S/C11H20O3/c1-10(2)8-12-5-3-4-11-9-13-6-7-14-11/h8,11H,3-7,9H2,1-2H3
InChIKeyKOMOZYQHUBCUGG-UHFFFAOYSA-N
XLogP2.12
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Methylprop-1-enoxymethyl)oxolane
CID 140168892
3-(2-Methylprop-1-enoxy)oxane
CID 176604011
2-[2-(2-Methylprop-1-enoxy)ethyl]-1,4-dioxane
CID 176604346
2-[3-[(E)-prop-1-enoxy]propyl]-1,4-dioxane
CID 176604455
2-(2-Methylprop-1-enoxymethyl)oxane
CID 176604594
2-[1-(2-Methylprop-1-enoxy)ethyl]-1,4-dioxane
CID 176604601
2-[3-(Cyclopentylidenemethoxy)propyl]-1,4-dioxane
CID 176604757
4-(2-Methylprop-1-enoxy)oxane
CID 176604815

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylprop-1-enoxy)propyl]-1,4-dioxane?
The IUPAC name of 2-[3-(2-methylprop-1-enoxy)propyl]-1,4-dioxane (CID 176603280) is 2-[3-(2-methylprop-1-enoxy)propyl]-1,4-dioxane.
What is the SMILES notation for 2-[3-(2-methylprop-1-enoxy)propyl]-1,4-dioxane?
The canonical SMILES for 2-[3-(2-methylprop-1-enoxy)propyl]-1,4-dioxane is CC(C)=COCCCC1COCCO1.
What is the InChIKey of 2-[3-(2-methylprop-1-enoxy)propyl]-1,4-dioxane?
The InChIKey is KOMOZYQHUBCUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-10(2)8-12-5-3-4-11-9-13-6-7-14-11/h8,11H,3-7,9H2,1-2H3.
What are the key properties of 2-[3-(2-methylprop-1-enoxy)propyl]-1,4-dioxane?
2-[3-(2-methylprop-1-enoxy)propyl]-1,4-dioxane has a molecular weight of 200.28 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylprop-1-enoxy)propyl]-1,4-dioxane is sourced from PubChem (CID 176603280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).