4-(methoxymethyl)-4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]oxane

C13H24O3 — CID 166967465

IUPAC4-(methoxymethyl)-4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]oxane
SMILESC=C(OC(C)(C)C)C1(COC)CCOCC1
InChIInChI=1S/C13H24O3/c1-11(16-12(2,3)4)13(10-14-5)6-8-15-9-7-13/h1,6-10H2,2-5H3
InChIKeyNRHRENVQGSHPMH-UHFFFAOYSA-N
MW228.33 g/mol
LogP2.76
Rot. Bonds4

About 4-(methoxymethyl)-4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]oxane

4-(methoxymethyl)-4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]oxane (PubChem CID 166967465) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 4-(methoxymethyl)-4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]oxane.

Molecular Properties

Compound Name4-(methoxymethyl)-4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]oxane
PubChem CID166967465
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name4-(methoxymethyl)-4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]oxane
SMILESC=C(OC(C)(C)C)C1(COC)CCOCC1
InChIInChI=1S/C13H24O3/c1-11(16-12(2,3)4)13(10-14-5)6-8-15-9-7-13/h1,6-10H2,2-5H3
InChIKeyNRHRENVQGSHPMH-UHFFFAOYSA-N
XLogP2.76
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(methoxymethyl)-4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]oxane?
The IUPAC name of 4-(methoxymethyl)-4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]oxane (CID 166967465) is 4-(methoxymethyl)-4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]oxane.
What is the SMILES notation for 4-(methoxymethyl)-4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]oxane?
The canonical SMILES for 4-(methoxymethyl)-4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]oxane is C=C(OC(C)(C)C)C1(COC)CCOCC1.
What is the InChIKey of 4-(methoxymethyl)-4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]oxane?
The InChIKey is NRHRENVQGSHPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-11(16-12(2,3)4)13(10-14-5)6-8-15-9-7-13/h1,6-10H2,2-5H3.
What are the key properties of 4-(methoxymethyl)-4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]oxane?
4-(methoxymethyl)-4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]oxane has a molecular weight of 228.33 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]oxane is sourced from PubChem (CID 166967465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).