4-(2-methylprop-1-enoxy)oxane

C9H16O2 — CID 176604815

IUPAC4-(2-methylprop-1-enoxy)oxane
SMILESCC(C)=COC1CCOCC1
InChIInChI=1S/C9H16O2/c1-8(2)7-11-9-3-5-10-6-4-9/h7,9H,3-6H2,1-2H3
InChIKeyKNQLPBVYWPYXDM-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.11
Rot. Bonds2

About 4-(2-methylprop-1-enoxy)oxane

4-(2-methylprop-1-enoxy)oxane (PubChem CID 176604815) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 4-(2-methylprop-1-enoxy)oxane.

Molecular Properties

Compound Name4-(2-methylprop-1-enoxy)oxane
PubChem CID176604815
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name4-(2-methylprop-1-enoxy)oxane
SMILESCC(C)=COC1CCOCC1
InChIInChI=1S/C9H16O2/c1-8(2)7-11-9-3-5-10-6-4-9/h7,9H,3-6H2,1-2H3
InChIKeyKNQLPBVYWPYXDM-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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Related Compounds

4-(3-Methylbut-1-en-2-yloxy)oxane
CID 59677260
1,3-Bis(2-methylprop-1-enoxy)butane
CID 87658980
4-Prop-1-enoxyoxane
CID 90717252
4-Prop-1-en-2-yloxyoxane
CID 134275485
4-But-1-en-2-yloxyoxane
CID 144042058
4-(Cyclopentylidenemethoxy)oxane
CID 176603057
4-[(E)-prop-1-enoxy]oxane
CID 176603182
2-[3-(2-Methylprop-1-enoxy)propyl]-1,4-dioxane
CID 176603280
2-(2-Methylprop-1-enoxymethyl)-1,4-dioxane
CID 176603486
3-(2-Methylprop-1-enoxy)oxane
CID 176604011
2-[2-(2-Methylprop-1-enoxy)ethyl]-1,4-dioxane
CID 176604346
4-[1-(2-Methylprop-1-enoxy)ethyl]oxane
CID 176604502

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylprop-1-enoxy)oxane?
The IUPAC name of 4-(2-methylprop-1-enoxy)oxane (CID 176604815) is 4-(2-methylprop-1-enoxy)oxane.
What is the SMILES notation for 4-(2-methylprop-1-enoxy)oxane?
The canonical SMILES for 4-(2-methylprop-1-enoxy)oxane is CC(C)=COC1CCOCC1.
What is the InChIKey of 4-(2-methylprop-1-enoxy)oxane?
The InChIKey is KNQLPBVYWPYXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-8(2)7-11-9-3-5-10-6-4-9/h7,9H,3-6H2,1-2H3.
What are the key properties of 4-(2-methylprop-1-enoxy)oxane?
4-(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 4-(2-methylprop-1-enoxy)oxane is sourced from PubChem (CID 176604815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).