(E)-2-methyl-1-(2-methylbutan-2-yloxy)but-1-ene

C10H20O — CID 22234835

IUPAC(E)-2-methyl-1-(2-methylbutan-2-yloxy)but-1-ene
SMILESCC/C(C)=C/OC(C)(C)CC
InChIInChI=1S/C10H20O/c1-6-9(3)8-11-10(4,5)7-2/h8H,6-7H2,1-5H3/b9-8+
InChIKeyHRQPFYOHGQWJJB-CMDGGOBGSA-N
MW156.27 g/mol
LogP3.51
Rot. Bonds4

About (E)-2-methyl-1-(2-methylbutan-2-yloxy)but-1-ene

(E)-2-methyl-1-(2-methylbutan-2-yloxy)but-1-ene (PubChem CID 22234835) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is (E)-2-methyl-1-(2-methylbutan-2-yloxy)but-1-ene.

Molecular Properties

Compound Name(E)-2-methyl-1-(2-methylbutan-2-yloxy)but-1-ene
PubChem CID22234835
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name(E)-2-methyl-1-(2-methylbutan-2-yloxy)but-1-ene
SMILESCC/C(C)=C/OC(C)(C)CC
InChIInChI=1S/C10H20O/c1-6-9(3)8-11-10(4,5)7-2/h8H,6-7H2,1-5H3/b9-8+
InChIKeyHRQPFYOHGQWJJB-CMDGGOBGSA-N
XLogP3.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (E)-2-methyl-1-(2-methylbutan-2-yloxy)but-1-ene?
The IUPAC name of (E)-2-methyl-1-(2-methylbutan-2-yloxy)but-1-ene (CID 22234835) is (E)-2-methyl-1-(2-methylbutan-2-yloxy)but-1-ene.
What is the SMILES notation for (E)-2-methyl-1-(2-methylbutan-2-yloxy)but-1-ene?
The canonical SMILES for (E)-2-methyl-1-(2-methylbutan-2-yloxy)but-1-ene is CC/C(C)=C/OC(C)(C)CC.
What is the InChIKey of (E)-2-methyl-1-(2-methylbutan-2-yloxy)but-1-ene?
The InChIKey is HRQPFYOHGQWJJB-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H20O/c1-6-9(3)8-11-10(4,5)7-2/h8H,6-7H2,1-5H3/b9-8+.
What are the key properties of (E)-2-methyl-1-(2-methylbutan-2-yloxy)but-1-ene?
(E)-2-methyl-1-(2-methylbutan-2-yloxy)but-1-ene has a molecular weight of 156.27 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-1-(2-methylbutan-2-yloxy)but-1-ene is sourced from PubChem (CID 22234835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).