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

C10H18O3 — CID 176604346

IUPAC2-[2-(2-methylprop-1-enoxy)ethyl]-1,4-dioxane
SMILESCC(C)=COCCC1COCCO1
InChIInChI=1S/C10H18O3/c1-9(2)7-11-4-3-10-8-12-5-6-13-10/h7,10H,3-6,8H2,1-2H3
InChIKeySOBPTJZETCYGJF-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.73
Rot. Bonds4

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

2-[2-(2-methylprop-1-enoxy)ethyl]-1,4-dioxane (PubChem CID 176604346) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-[2-(2-methylprop-1-enoxy)ethyl]-1,4-dioxane.

Molecular Properties

Compound Name2-[2-(2-methylprop-1-enoxy)ethyl]-1,4-dioxane
PubChem CID176604346
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-[2-(2-methylprop-1-enoxy)ethyl]-1,4-dioxane
SMILESCC(C)=COCCC1COCCO1
InChIInChI=1S/C10H18O3/c1-9(2)7-11-4-3-10-8-12-5-6-13-10/h7,10H,3-6,8H2,1-2H3
InChIKeySOBPTJZETCYGJF-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
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-(1,4,7,10-tetraoxacyclododec-2-yl)ethanol
CID 21459614
2-[(2R)-1,4-dioxan-2-yl]ethanamine
CID 94920257
4-(1,4-dioxan-2-yl)butan-1-ol
CID 19815830
2-pentadecyl-1,4-dioxane
CID 150124188
ethane;2-ethyl-1,4-dioxane
CID 170734415
1,4-dioxan-2-ylmethyl methyl carbonate
CID 21305997
2-(3-bromopropyl)-1,4-dioxane
CID 126971311
2-decyl-1,4,7,10,13,16,19,22-octaoxacyclotetracosane
CID 122553688
2-pent-4-enyl-1,4-dioxane
CID 174797521
2-(1,4-dioxan-2-yl)ethyl-triethylsilane
CID 14946651
2-(2-ethenoxyethyl)oxirane
CID 54536432
2-(2,3-dimethylbutyl)-1,4-dioxane
CID 178009614

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylprop-1-enoxy)ethyl]-1,4-dioxane?
The IUPAC name of 2-[2-(2-methylprop-1-enoxy)ethyl]-1,4-dioxane (CID 176604346) is 2-[2-(2-methylprop-1-enoxy)ethyl]-1,4-dioxane.
What is the SMILES notation for 2-[2-(2-methylprop-1-enoxy)ethyl]-1,4-dioxane?
The canonical SMILES for 2-[2-(2-methylprop-1-enoxy)ethyl]-1,4-dioxane is CC(C)=COCCC1COCCO1.
What is the InChIKey of 2-[2-(2-methylprop-1-enoxy)ethyl]-1,4-dioxane?
The InChIKey is SOBPTJZETCYGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-9(2)7-11-4-3-10-8-12-5-6-13-10/h7,10H,3-6,8H2,1-2H3.
What are the key properties of 2-[2-(2-methylprop-1-enoxy)ethyl]-1,4-dioxane?
2-[2-(2-methylprop-1-enoxy)ethyl]-1,4-dioxane has a molecular weight of 186.25 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylprop-1-enoxy)ethyl]-1,4-dioxane is sourced from PubChem (CID 176604346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).