4-(ethenoxymethyl)-4-methyloxane

C9H16O2 — CID 68560612

IUPAC4-(ethenoxymethyl)-4-methyloxane
SMILESC=COCC1(C)CCOCC1
InChIInChI=1S/C9H16O2/c1-3-10-8-9(2)4-6-11-7-5-9/h3H,1,4-8H2,2H3
InChIKeyGBAMNMHJWZPGQV-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.96
Rot. Bonds3

About 4-(ethenoxymethyl)-4-methyloxane

4-(ethenoxymethyl)-4-methyloxane (PubChem CID 68560612) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 4-(ethenoxymethyl)-4-methyloxane.

Molecular Properties

Compound Name4-(ethenoxymethyl)-4-methyloxane
PubChem CID68560612
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name4-(ethenoxymethyl)-4-methyloxane
SMILESC=COCC1(C)CCOCC1
InChIInChI=1S/C9H16O2/c1-3-10-8-9(2)4-6-11-7-5-9/h3H,1,4-8H2,2H3
InChIKeyGBAMNMHJWZPGQV-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 4-(ethenoxymethyl)-4-methyloxane?
The IUPAC name of 4-(ethenoxymethyl)-4-methyloxane (CID 68560612) is 4-(ethenoxymethyl)-4-methyloxane.
What is the SMILES notation for 4-(ethenoxymethyl)-4-methyloxane?
The canonical SMILES for 4-(ethenoxymethyl)-4-methyloxane is C=COCC1(C)CCOCC1.
What is the InChIKey of 4-(ethenoxymethyl)-4-methyloxane?
The InChIKey is GBAMNMHJWZPGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-10-8-9(2)4-6-11-7-5-9/h3H,1,4-8H2,2H3.
What are the key properties of 4-(ethenoxymethyl)-4-methyloxane?
4-(ethenoxymethyl)-4-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 4-(ethenoxymethyl)-4-methyloxane is sourced from PubChem (CID 68560612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).