2-(ethenoxymethyl)-2-methyloxane

C9H16O2 — CID 176603187

IUPAC2-(ethenoxymethyl)-2-methyloxane
SMILESC=COCC1(C)CCCCO1
InChIInChI=1S/C9H16O2/c1-3-10-8-9(2)6-4-5-7-11-9/h3H,1,4-8H2,2H3
InChIKeyYXMCHMLNZDMRJF-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.11
Rot. Bonds3

About 2-(ethenoxymethyl)-2-methyloxane

2-(ethenoxymethyl)-2-methyloxane (PubChem CID 176603187) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-(ethenoxymethyl)-2-methyloxane.

Molecular Properties

Compound Name2-(ethenoxymethyl)-2-methyloxane
PubChem CID176603187
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-(ethenoxymethyl)-2-methyloxane
SMILESC=COCC1(C)CCCCO1
InChIInChI=1S/C9H16O2/c1-3-10-8-9(2)6-4-5-7-11-9/h3H,1,4-8H2,2H3
InChIKeyYXMCHMLNZDMRJF-UHFFFAOYSA-N
XLogP2.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.11
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

3-(6-Ethenoxyhexoxy)-3-ethyloxetane
CID 58689609
2-Butyl-2-methyl-1,4-dioxane
CID 70579045
3-Ethenoxy-2-(hexan-3-yloxymethyl)-5-methyloxane
CID 91145508
3-Methoxy-2,2-dimethyloxane
CID 132059119
(2R)-2-(methoxymethyl)-2-methyloxane
CID 135276504
2-(Methoxymethyl)-2-methyloxane
CID 141032715
(3R)-3-methoxy-2,2-dimethyloxane
CID 144165062
2,5-Dibutyl-2,5-dimethyl-1,4-dioxane
CID 149879244
2,2-Dimethyloxane;ethene
CID 168913071
2-Methyl-2-[(2-methylpropan-2-yl)oxymethyl]oxane
CID 171453839
2-(2-Ethenoxyethyl)-2-methyloxane
CID 176603794
2-Methyl-2-(2-methylprop-1-enoxymethyl)oxane
CID 176604888

Frequently Asked Questions

What is the IUPAC name of 2-(ethenoxymethyl)-2-methyloxane?
The IUPAC name of 2-(ethenoxymethyl)-2-methyloxane (CID 176603187) is 2-(ethenoxymethyl)-2-methyloxane.
What is the SMILES notation for 2-(ethenoxymethyl)-2-methyloxane?
The canonical SMILES for 2-(ethenoxymethyl)-2-methyloxane is C=COCC1(C)CCCCO1.
What is the InChIKey of 2-(ethenoxymethyl)-2-methyloxane?
The InChIKey is YXMCHMLNZDMRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-10-8-9(2)6-4-5-7-11-9/h3H,1,4-8H2,2H3.
What are the key properties of 2-(ethenoxymethyl)-2-methyloxane?
2-(ethenoxymethyl)-2-methyloxane has a molecular weight of 156.22 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethenoxymethyl)-2-methyloxane is sourced from PubChem (CID 176603187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).