2-(3-ethenoxypropyl)-2-ethyl-1,4-dioxane

C11H20O3 — CID 176605139

IUPAC2-(3-ethenoxypropyl)-2-ethyl-1,4-dioxane
SMILESC=COCCCC1(CC)COCCO1
InChIInChI=1S/C11H20O3/c1-3-11(6-5-7-12-4-2)10-13-8-9-14-11/h4H,2-3,5-10H2,1H3
InChIKeyFSTZNVZPMKLNTP-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.12
Rot. Bonds6

About 2-(3-ethenoxypropyl)-2-ethyl-1,4-dioxane

2-(3-ethenoxypropyl)-2-ethyl-1,4-dioxane (PubChem CID 176605139) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-(3-ethenoxypropyl)-2-ethyl-1,4-dioxane.

Molecular Properties

Compound Name2-(3-ethenoxypropyl)-2-ethyl-1,4-dioxane
PubChem CID176605139
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name2-(3-ethenoxypropyl)-2-ethyl-1,4-dioxane
SMILESC=COCCCC1(CC)COCCO1
InChIInChI=1S/C11H20O3/c1-3-11(6-5-7-12-4-2)10-13-8-9-14-11/h4H,2-3,5-10H2,1H3
InChIKeyFSTZNVZPMKLNTP-UHFFFAOYSA-N
XLogP2.12
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
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-(Ethenoxymethyl)-2-propyloxetane
CID 140206383
2-[3-(2,3,5,6-Tetramethyl-1,4-dioxan-2-yl)propoxy]ethenol
CID 151640617
4-[2-(2-Ethenoxyethoxy)ethoxymethyl]-2-methyloxane
CID 155070008
4-Ethenoxy-5-methoxy-2,3-dimethyloxane
CID 163571112
3-Ethyl-3-methoxyoxane
CID 164557651
4-Ethenoxy-4-(ethenoxymethyl)-1-ethoxyhexane
CID 175329752
2-(Ethenoxymethyl)-2-methyloxane
CID 176603187
2-(Ethenoxymethyl)-2-ethyloxolane
CID 176604059
2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]-1,4-dioxane
CID 176604387
2-Ethyl-2-[3-(2-methylprop-1-enoxy)propyl]-1,4-dioxane
CID 176605128
2-(Ethenoxymethyl)-2-ethyloxane
CID 176605304

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethenoxypropyl)-2-ethyl-1,4-dioxane?
The IUPAC name of 2-(3-ethenoxypropyl)-2-ethyl-1,4-dioxane (CID 176605139) is 2-(3-ethenoxypropyl)-2-ethyl-1,4-dioxane.
What is the SMILES notation for 2-(3-ethenoxypropyl)-2-ethyl-1,4-dioxane?
The canonical SMILES for 2-(3-ethenoxypropyl)-2-ethyl-1,4-dioxane is C=COCCCC1(CC)COCCO1.
What is the InChIKey of 2-(3-ethenoxypropyl)-2-ethyl-1,4-dioxane?
The InChIKey is FSTZNVZPMKLNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-3-11(6-5-7-12-4-2)10-13-8-9-14-11/h4H,2-3,5-10H2,1H3.
What are the key properties of 2-(3-ethenoxypropyl)-2-ethyl-1,4-dioxane?
2-(3-ethenoxypropyl)-2-ethyl-1,4-dioxane has a molecular weight of 200.28 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethenoxypropyl)-2-ethyl-1,4-dioxane is sourced from PubChem (CID 176605139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).