3-ethenoxy-3-methyl-1-[(2-methylpropan-2-yl)oxy]butane

C11H22O2 — CID 123667741

IUPAC3-ethenoxy-3-methyl-1-[(2-methylpropan-2-yl)oxy]butane
SMILESC=COC(C)(C)CCOC(C)(C)C
InChIInChI=1S/C11H22O2/c1-7-12-11(5,6)8-9-13-10(2,3)4/h7H,1,8-9H2,2-6H3
InChIKeyONWFFGAAAHSFIM-UHFFFAOYSA-N
MW186.29 g/mol
LogP3.13
Rot. Bonds5

About 3-ethenoxy-3-methyl-1-[(2-methylpropan-2-yl)oxy]butane

3-ethenoxy-3-methyl-1-[(2-methylpropan-2-yl)oxy]butane (PubChem CID 123667741) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 3-ethenoxy-3-methyl-1-[(2-methylpropan-2-yl)oxy]butane.

Molecular Properties

Compound Name3-ethenoxy-3-methyl-1-[(2-methylpropan-2-yl)oxy]butane
PubChem CID123667741
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name3-ethenoxy-3-methyl-1-[(2-methylpropan-2-yl)oxy]butane
SMILESC=COC(C)(C)CCOC(C)(C)C
InChIInChI=1S/C11H22O2/c1-7-12-11(5,6)8-9-13-10(2,3)4/h7H,1,8-9H2,2-6H3
InChIKeyONWFFGAAAHSFIM-UHFFFAOYSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 53.13
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

2-methyl-2-[(Z)-2-[(2-methylpropan-2-yl)oxy]ethenoxy]propane
CID 58200167
1-Methoxy-1,1-dimethyl-3-propoxypropane
CID 44602848
3-Methoxy-3-methyl-1-propa-1,2-dienoxybutane
CID 135071461
2-methyl-2-[(E)-2-[(2-methylpropan-2-yl)oxy]ethenoxy]propane
CID 12388022
1,3-Diethoxy-3-methylbutane
CID 18667890
3-Butoxy-1-ethoxy-3-methylbutane
CID 21960666
3-Ethenoxy-1-ethoxybutane
CID 53822030
2-[(2-tert-Butoxyethenyl)oxy]-2-methylpropane
CID 54358210
1-Butoxy-3-methoxy-3-methylbutane
CID 56617861
1-(3-Ethenoxypropoxy)butane
CID 57198016
1-Butoxy-3-methyl-3-[(2-methylpropan-2-yl)oxy]butane
CID 87248504
1-Methoxy-3-(3-methoxy-3-methylbutoxy)-1,1-dimethylpropane
CID 87271082

Frequently Asked Questions

What is the IUPAC name of 3-ethenoxy-3-methyl-1-[(2-methylpropan-2-yl)oxy]butane?
The IUPAC name of 3-ethenoxy-3-methyl-1-[(2-methylpropan-2-yl)oxy]butane (CID 123667741) is 3-ethenoxy-3-methyl-1-[(2-methylpropan-2-yl)oxy]butane.
What is the SMILES notation for 3-ethenoxy-3-methyl-1-[(2-methylpropan-2-yl)oxy]butane?
The canonical SMILES for 3-ethenoxy-3-methyl-1-[(2-methylpropan-2-yl)oxy]butane is C=COC(C)(C)CCOC(C)(C)C.
What is the InChIKey of 3-ethenoxy-3-methyl-1-[(2-methylpropan-2-yl)oxy]butane?
The InChIKey is ONWFFGAAAHSFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-7-12-11(5,6)8-9-13-10(2,3)4/h7H,1,8-9H2,2-6H3.
What are the key properties of 3-ethenoxy-3-methyl-1-[(2-methylpropan-2-yl)oxy]butane?
3-ethenoxy-3-methyl-1-[(2-methylpropan-2-yl)oxy]butane has a molecular weight of 186.29 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenoxy-3-methyl-1-[(2-methylpropan-2-yl)oxy]butane is sourced from PubChem (CID 123667741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).