(E)-1-(2-methoxyethoxy)-2-methylbut-1-ene

C8H16O2 — CID 22234786

IUPAC(E)-1-(2-methoxyethoxy)-2-methylbut-1-ene
SMILESCC/C(C)=C/OCCOC
InChIInChI=1S/C8H16O2/c1-4-8(2)7-10-6-5-9-3/h7H,4-6H2,1-3H3/b8-7+
InChIKeyVXNCMGOAIOSYRM-BQYQJAHWSA-N
MW144.21 g/mol
LogP1.96
Rot. Bonds5

About (E)-1-(2-methoxyethoxy)-2-methylbut-1-ene

(E)-1-(2-methoxyethoxy)-2-methylbut-1-ene (PubChem CID 22234786) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is (E)-1-(2-methoxyethoxy)-2-methylbut-1-ene.

Molecular Properties

Compound Name(E)-1-(2-methoxyethoxy)-2-methylbut-1-ene
PubChem CID22234786
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name(E)-1-(2-methoxyethoxy)-2-methylbut-1-ene
SMILESCC/C(C)=C/OCCOC
InChIInChI=1S/C8H16O2/c1-4-8(2)7-10-6-5-9-3/h7H,4-6H2,1-3H3/b8-7+
InChIKeyVXNCMGOAIOSYRM-BQYQJAHWSA-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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Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-methoxyethoxy)-2-methylbut-1-ene?
The IUPAC name of (E)-1-(2-methoxyethoxy)-2-methylbut-1-ene (CID 22234786) is (E)-1-(2-methoxyethoxy)-2-methylbut-1-ene.
What is the SMILES notation for (E)-1-(2-methoxyethoxy)-2-methylbut-1-ene?
The canonical SMILES for (E)-1-(2-methoxyethoxy)-2-methylbut-1-ene is CC/C(C)=C/OCCOC.
What is the InChIKey of (E)-1-(2-methoxyethoxy)-2-methylbut-1-ene?
The InChIKey is VXNCMGOAIOSYRM-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H16O2/c1-4-8(2)7-10-6-5-9-3/h7H,4-6H2,1-3H3/b8-7+.
What are the key properties of (E)-1-(2-methoxyethoxy)-2-methylbut-1-ene?
(E)-1-(2-methoxyethoxy)-2-methylbut-1-ene 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 (E)-1-(2-methoxyethoxy)-2-methylbut-1-ene is sourced from PubChem (CID 22234786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).