1-(2-methoxyethenoxy)-3-methylbutane

C8H16O2 — CID 91112254

IUPAC1-(2-methoxyethenoxy)-3-methylbutane
SMILESCOC=COCCC(C)C
InChIInChI=1S/C8H16O2/c1-8(2)4-5-10-7-6-9-3/h6-8H,4-5H2,1-3H3
InChIKeyWBJBYSSLNNEUEP-UHFFFAOYSA-N
MW144.21 g/mol
LogP2.17
Rot. Bonds5

About 1-(2-methoxyethenoxy)-3-methylbutane

1-(2-methoxyethenoxy)-3-methylbutane (PubChem CID 91112254) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 1-(2-methoxyethenoxy)-3-methylbutane.

Molecular Properties

Compound Name1-(2-methoxyethenoxy)-3-methylbutane
PubChem CID91112254
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name1-(2-methoxyethenoxy)-3-methylbutane
SMILESCOC=COCCC(C)C
InChIInChI=1S/C8H16O2/c1-8(2)4-5-10-7-6-9-3/h6-8H,4-5H2,1-3H3
InChIKeyWBJBYSSLNNEUEP-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethenoxy)-3-methylbutane?
The IUPAC name of 1-(2-methoxyethenoxy)-3-methylbutane (CID 91112254) is 1-(2-methoxyethenoxy)-3-methylbutane.
What is the SMILES notation for 1-(2-methoxyethenoxy)-3-methylbutane?
The canonical SMILES for 1-(2-methoxyethenoxy)-3-methylbutane is COC=COCCC(C)C.
What is the InChIKey of 1-(2-methoxyethenoxy)-3-methylbutane?
The InChIKey is WBJBYSSLNNEUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-8(2)4-5-10-7-6-9-3/h6-8H,4-5H2,1-3H3.
What are the key properties of 1-(2-methoxyethenoxy)-3-methylbutane?
1-(2-methoxyethenoxy)-3-methylbutane has a molecular weight of 144.21 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethenoxy)-3-methylbutane is sourced from PubChem (CID 91112254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).