1-ethenoxy-2-methylpropane;2-ethenoxy-2-methylpropane

C12H24O2 — CID 18988605

IUPAC1-ethenoxy-2-methylpropane;2-ethenoxy-2-methylpropane
SMILESC=COC(C)(C)C.C=COCC(C)C
InChIInChI=1S/2C6H12O/c1-5-7-6(2,3)4;1-4-7-5-6(2)3/h5H,1H2,2-4H3;4,6H,1,5H2,2-3H3
InChIKeyRAXPWAXVWIMDMZ-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.75
Rot. Bonds4

About 1-ethenoxy-2-methylpropane;2-ethenoxy-2-methylpropane

1-ethenoxy-2-methylpropane;2-ethenoxy-2-methylpropane (PubChem CID 18988605) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 1-ethenoxy-2-methylpropane;2-ethenoxy-2-methylpropane.

Molecular Properties

Compound Name1-ethenoxy-2-methylpropane;2-ethenoxy-2-methylpropane
PubChem CID18988605
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name1-ethenoxy-2-methylpropane;2-ethenoxy-2-methylpropane
SMILESC=COC(C)(C)C.C=COCC(C)C
InChIInChI=1S/2C6H12O/c1-5-7-6(2,3)4;1-4-7-5-6(2)3/h5H,1H2,2-4H3;4,6H,1,5H2,2-3H3
InChIKeyRAXPWAXVWIMDMZ-UHFFFAOYSA-N
XLogP3.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.75
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 1-ethenoxy-2-methylpropane;2-ethenoxy-2-methylpropane?
The IUPAC name of 1-ethenoxy-2-methylpropane;2-ethenoxy-2-methylpropane (CID 18988605) is 1-ethenoxy-2-methylpropane;2-ethenoxy-2-methylpropane.
What is the SMILES notation for 1-ethenoxy-2-methylpropane;2-ethenoxy-2-methylpropane?
The canonical SMILES for 1-ethenoxy-2-methylpropane;2-ethenoxy-2-methylpropane is C=COC(C)(C)C.C=COCC(C)C.
What is the InChIKey of 1-ethenoxy-2-methylpropane;2-ethenoxy-2-methylpropane?
The InChIKey is RAXPWAXVWIMDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H12O/c1-5-7-6(2,3)4;1-4-7-5-6(2)3/h5H,1H2,2-4H3;4,6H,1,5H2,2-3H3.
What are the key properties of 1-ethenoxy-2-methylpropane;2-ethenoxy-2-methylpropane?
1-ethenoxy-2-methylpropane;2-ethenoxy-2-methylpropane has a molecular weight of 200.32 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-2-methylpropane;2-ethenoxy-2-methylpropane is sourced from PubChem (CID 18988605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).