2-[3-(2-methylprop-1-enoxy)propyl]oxane

C12H22O2 — CID 176603337

IUPAC2-[3-(2-methylprop-1-enoxy)propyl]oxane
SMILESCC(C)=COCCCC1CCCCO1
InChIInChI=1S/C12H22O2/c1-11(2)10-13-8-5-7-12-6-3-4-9-14-12/h10,12H,3-9H2,1-2H3
InChIKeyJBGUIAXJMLNLLV-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.28
Rot. Bonds5

About 2-[3-(2-methylprop-1-enoxy)propyl]oxane

2-[3-(2-methylprop-1-enoxy)propyl]oxane (PubChem CID 176603337) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-[3-(2-methylprop-1-enoxy)propyl]oxane.

Molecular Properties

Compound Name2-[3-(2-methylprop-1-enoxy)propyl]oxane
PubChem CID176603337
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2-[3-(2-methylprop-1-enoxy)propyl]oxane
SMILESCC(C)=COCCCC1CCCCO1
InChIInChI=1S/C12H22O2/c1-11(2)10-13-8-5-7-12-6-3-4-9-14-12/h10,12H,3-9H2,1-2H3
InChIKeyJBGUIAXJMLNLLV-UHFFFAOYSA-N
XLogP3.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,8-Bis(prop-1-en-2-yloxy)nonane
CID 132078446
2-Methylprop-1-enoxycyclododecane
CID 140148322
2-[3-[(E)-prop-1-enoxy]propyl]oxane
CID 176603217
2-[3-(2-Methylprop-1-enoxy)propyl]oxocane
CID 176603288
2-Ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxane
CID 176603700
2-[3-(2-Methylprop-1-enoxy)propyl]oxolane
CID 176603913
2-[3-(Cyclopentylidenemethoxy)propyl]oxane
CID 176604570
2-(2-Methylprop-1-enoxymethyl)oxane
CID 176604594
2-[2-(2-Methylprop-1-enoxy)ethyl]oxane
CID 176605169
2-[1-(2-Methylprop-1-enoxy)ethyl]oxane
CID 176605190
2-[3-(Cyclohexylidenemethoxy)propyl]oxane
CID 176605196
2-[(E)-3-methoxy-2-methylprop-2-enyl]oxane
CID 10654734

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylprop-1-enoxy)propyl]oxane?
The IUPAC name of 2-[3-(2-methylprop-1-enoxy)propyl]oxane (CID 176603337) is 2-[3-(2-methylprop-1-enoxy)propyl]oxane.
What is the SMILES notation for 2-[3-(2-methylprop-1-enoxy)propyl]oxane?
The canonical SMILES for 2-[3-(2-methylprop-1-enoxy)propyl]oxane is CC(C)=COCCCC1CCCCO1.
What is the InChIKey of 2-[3-(2-methylprop-1-enoxy)propyl]oxane?
The InChIKey is JBGUIAXJMLNLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-11(2)10-13-8-5-7-12-6-3-4-9-14-12/h10,12H,3-9H2,1-2H3.
What are the key properties of 2-[3-(2-methylprop-1-enoxy)propyl]oxane?
2-[3-(2-methylprop-1-enoxy)propyl]oxane has a molecular weight of 198.31 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylprop-1-enoxy)propyl]oxane is sourced from PubChem (CID 176603337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).