3-(ethenoxymethyl)-3-methyloxane

C9H16O2 — CID 176604669

IUPAC3-(ethenoxymethyl)-3-methyloxane
SMILESC=COCC1(C)CCCOC1
InChIInChI=1S/C9H16O2/c1-3-10-7-9(2)5-4-6-11-8-9/h3H,1,4-8H2,2H3
InChIKeyRCDGJGNCVWINBA-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.96
Rot. Bonds3

About 3-(ethenoxymethyl)-3-methyloxane

3-(ethenoxymethyl)-3-methyloxane (PubChem CID 176604669) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 3-(ethenoxymethyl)-3-methyloxane.

Molecular Properties

Compound Name3-(ethenoxymethyl)-3-methyloxane
PubChem CID176604669
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name3-(ethenoxymethyl)-3-methyloxane
SMILESC=COCC1(C)CCCOC1
InChIInChI=1S/C9H16O2/c1-3-10-7-9(2)5-4-6-11-8-9/h3H,1,4-8H2,2H3
InChIKeyRCDGJGNCVWINBA-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
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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Frequently Asked Questions

What is the IUPAC name of 3-(ethenoxymethyl)-3-methyloxane?
The IUPAC name of 3-(ethenoxymethyl)-3-methyloxane (CID 176604669) is 3-(ethenoxymethyl)-3-methyloxane.
What is the SMILES notation for 3-(ethenoxymethyl)-3-methyloxane?
The canonical SMILES for 3-(ethenoxymethyl)-3-methyloxane is C=COCC1(C)CCCOC1.
What is the InChIKey of 3-(ethenoxymethyl)-3-methyloxane?
The InChIKey is RCDGJGNCVWINBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-10-7-9(2)5-4-6-11-8-9/h3H,1,4-8H2,2H3.
What are the key properties of 3-(ethenoxymethyl)-3-methyloxane?
3-(ethenoxymethyl)-3-methyloxane has a molecular weight of 156.22 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethenoxymethyl)-3-methyloxane is sourced from PubChem (CID 176604669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).