2-(ethenoxymethyl)-2-ethyloxane

C10H18O2 — CID 176605304

IUPAC2-(ethenoxymethyl)-2-ethyloxane
SMILESC=COCC1(CC)CCCCO1
InChIInChI=1S/C10H18O2/c1-3-10(9-11-4-2)7-5-6-8-12-10/h4H,2-3,5-9H2,1H3
InChIKeyVHIXKLPGJJGDHD-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.50
Rot. Bonds4

About 2-(ethenoxymethyl)-2-ethyloxane

2-(ethenoxymethyl)-2-ethyloxane (PubChem CID 176605304) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-(ethenoxymethyl)-2-ethyloxane.

Molecular Properties

Compound Name2-(ethenoxymethyl)-2-ethyloxane
PubChem CID176605304
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-(ethenoxymethyl)-2-ethyloxane
SMILESC=COCC1(CC)CCCCO1
InChIInChI=1S/C10H18O2/c1-3-10(9-11-4-2)7-5-6-8-12-10/h4H,2-3,5-9H2,1H3
InChIKeyVHIXKLPGJJGDHD-UHFFFAOYSA-N
XLogP2.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Butyl-2-ethyl-1,4-dioxane
CID 240150
(2R,5S)-5-ethyl-2-(methoxymethyl)-2-methyloxane
CID 166593111
2,3-Bis(ethenoxy)-3-ethylheptane
CID 174966964
2-(Ethenoxymethyl)-2-methyloxane
CID 176603187
2-(2-Ethenoxyethyl)-2-methyloxane
CID 176603794
2-ethyl-2-[[(E)-prop-1-enoxy]methyl]oxane
CID 176603915
2-Ethyl-2-(2-methylprop-1-enoxymethyl)oxane
CID 176604881
2-(3-Ethenoxypropyl)-2-ethyl-1,4-dioxane
CID 176605139
2-(3-Ethenoxypropyl)-2-ethyloxane
CID 176605357
2-Ethyl-2-(methoxymethyl)-4-methyloxane
CID 176662021
(2S)-2-butyl-2-ethyl-1,4-dioxane
CID 92158133
(2R)-2-butyl-2-ethyl-1,4-dioxane
CID 92172219

Frequently Asked Questions

What is the IUPAC name of 2-(ethenoxymethyl)-2-ethyloxane?
The IUPAC name of 2-(ethenoxymethyl)-2-ethyloxane (CID 176605304) is 2-(ethenoxymethyl)-2-ethyloxane.
What is the SMILES notation for 2-(ethenoxymethyl)-2-ethyloxane?
The canonical SMILES for 2-(ethenoxymethyl)-2-ethyloxane is C=COCC1(CC)CCCCO1.
What is the InChIKey of 2-(ethenoxymethyl)-2-ethyloxane?
The InChIKey is VHIXKLPGJJGDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-10(9-11-4-2)7-5-6-8-12-10/h4H,2-3,5-9H2,1H3.
What are the key properties of 2-(ethenoxymethyl)-2-ethyloxane?
2-(ethenoxymethyl)-2-ethyloxane has a molecular weight of 170.25 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethenoxymethyl)-2-ethyloxane is sourced from PubChem (CID 176605304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).