3-(2-methylprop-1-enoxy)oxane

C9H16O2 — CID 176604011

IUPAC3-(2-methylprop-1-enoxy)oxane
SMILESCC(C)=COC1CCCOC1
InChIInChI=1S/C9H16O2/c1-8(2)6-11-9-4-3-5-10-7-9/h6,9H,3-5,7H2,1-2H3
InChIKeyWRDGMXMUAUGKPC-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.11
Rot. Bonds2

About 3-(2-methylprop-1-enoxy)oxane

3-(2-methylprop-1-enoxy)oxane (PubChem CID 176604011) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 3-(2-methylprop-1-enoxy)oxane.

Molecular Properties

Compound Name3-(2-methylprop-1-enoxy)oxane
PubChem CID176604011
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name3-(2-methylprop-1-enoxy)oxane
SMILESCC(C)=COC1CCCOC1
InChIInChI=1S/C9H16O2/c1-8(2)6-11-9-4-3-5-10-7-9/h6,9H,3-5,7H2,1-2H3
InChIKeyWRDGMXMUAUGKPC-UHFFFAOYSA-N
XLogP2.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylprop-1-enoxy)oxane?
The IUPAC name of 3-(2-methylprop-1-enoxy)oxane (CID 176604011) is 3-(2-methylprop-1-enoxy)oxane.
What is the SMILES notation for 3-(2-methylprop-1-enoxy)oxane?
The canonical SMILES for 3-(2-methylprop-1-enoxy)oxane is CC(C)=COC1CCCOC1.
What is the InChIKey of 3-(2-methylprop-1-enoxy)oxane?
The InChIKey is WRDGMXMUAUGKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-8(2)6-11-9-4-3-5-10-7-9/h6,9H,3-5,7H2,1-2H3.
What are the key properties of 3-(2-methylprop-1-enoxy)oxane?
3-(2-methylprop-1-enoxy)oxane has a molecular weight of 156.22 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylprop-1-enoxy)oxane is sourced from PubChem (CID 176604011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).