1-ethenoxy-3-methoxy-3-methylbutane

C8H16O2 — CID 106665515

IUPAC1-ethenoxy-3-methoxy-3-methylbutane
SMILESC=COCCC(C)(C)OC
InChIInChI=1S/C8H16O2/c1-5-10-7-6-8(2,3)9-4/h5H,1,6-7H2,2-4H3
InChIKeyVSYYCILBIVGSPM-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.96
Rot. Bonds5

About 1-ethenoxy-3-methoxy-3-methylbutane

1-ethenoxy-3-methoxy-3-methylbutane (PubChem CID 106665515) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 1-ethenoxy-3-methoxy-3-methylbutane.

Molecular Properties

Compound Name1-ethenoxy-3-methoxy-3-methylbutane
PubChem CID106665515
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name1-ethenoxy-3-methoxy-3-methylbutane
SMILESC=COCCC(C)(C)OC
InChIInChI=1S/C8H16O2/c1-5-10-7-6-8(2,3)9-4/h5H,1,6-7H2,2-4H3
InChIKeyVSYYCILBIVGSPM-UHFFFAOYSA-N
XLogP1.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.96
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-methyl-2-[(Z)-2-[(2-methylpropan-2-yl)oxy]ethenoxy]propane
CID 58200167
1-Ethenoxy-2,2-bis(ethenoxymethyl)butane
CID 21867830
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-Ethenoxy-2-methylpropane;2-ethenoxy-2-methylpropane
CID 18988605
1-Ethenoxy-2,2-bis(methoxymethyl)butane
CID 20396579
4-[(E)-2-(3-hydroxy-3-methylbutoxy)ethenoxy]-2-methylbutan-2-ol
CID 21303483
2-[(2-tert-Butoxyethenyl)oxy]-2-methylpropane
CID 54358210
2-methyl-1-[(Z)-2-[(2-methylpropan-2-yl)oxy]ethenoxy]propane
CID 57130063
4-[2-(3-Hydroxy-3-methylbutoxy)ethenoxy]-2-methylbutan-2-ol
CID 73768605
2-Ethenoxy-2-methylpentane
CID 89232714
1-(2-Methoxyethenoxy)-3-methylbutane
CID 91112254

Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-3-methoxy-3-methylbutane?
The IUPAC name of 1-ethenoxy-3-methoxy-3-methylbutane (CID 106665515) is 1-ethenoxy-3-methoxy-3-methylbutane.
What is the SMILES notation for 1-ethenoxy-3-methoxy-3-methylbutane?
The canonical SMILES for 1-ethenoxy-3-methoxy-3-methylbutane is C=COCCC(C)(C)OC.
What is the InChIKey of 1-ethenoxy-3-methoxy-3-methylbutane?
The InChIKey is VSYYCILBIVGSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-5-10-7-6-8(2,3)9-4/h5H,1,6-7H2,2-4H3.
What are the key properties of 1-ethenoxy-3-methoxy-3-methylbutane?
1-ethenoxy-3-methoxy-3-methylbutane has a molecular weight of 144.21 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-3-methoxy-3-methylbutane is sourced from PubChem (CID 106665515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).