(E)-1-(2,2-dimethylpropoxy)-2-methylbut-1-ene

C10H20O — CID 22234791

IUPAC(E)-1-(2,2-dimethylpropoxy)-2-methylbut-1-ene
SMILESCC/C(C)=C/OCC(C)(C)C
InChIInChI=1S/C10H20O/c1-6-9(2)7-11-8-10(3,4)5/h7H,6,8H2,1-5H3/b9-7+
InChIKeyJXLGLVVJURJCSJ-VQHVLOKHSA-N
MW156.27 g/mol
LogP3.36
Rot. Bonds3

About (E)-1-(2,2-dimethylpropoxy)-2-methylbut-1-ene

(E)-1-(2,2-dimethylpropoxy)-2-methylbut-1-ene (PubChem CID 22234791) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is (E)-1-(2,2-dimethylpropoxy)-2-methylbut-1-ene.

Molecular Properties

Compound Name(E)-1-(2,2-dimethylpropoxy)-2-methylbut-1-ene
PubChem CID22234791
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name(E)-1-(2,2-dimethylpropoxy)-2-methylbut-1-ene
SMILESCC/C(C)=C/OCC(C)(C)C
InChIInChI=1S/C10H20O/c1-6-9(2)7-11-8-10(3,4)5/h7H,6,8H2,1-5H3/b9-7+
InChIKeyJXLGLVVJURJCSJ-VQHVLOKHSA-N
XLogP3.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.36
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)-1-(2,2-dimethylpropoxy)-2-methylbut-1-ene?
The IUPAC name of (E)-1-(2,2-dimethylpropoxy)-2-methylbut-1-ene (CID 22234791) is (E)-1-(2,2-dimethylpropoxy)-2-methylbut-1-ene.
What is the SMILES notation for (E)-1-(2,2-dimethylpropoxy)-2-methylbut-1-ene?
The canonical SMILES for (E)-1-(2,2-dimethylpropoxy)-2-methylbut-1-ene is CC/C(C)=C/OCC(C)(C)C.
What is the InChIKey of (E)-1-(2,2-dimethylpropoxy)-2-methylbut-1-ene?
The InChIKey is JXLGLVVJURJCSJ-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H20O/c1-6-9(2)7-11-8-10(3,4)5/h7H,6,8H2,1-5H3/b9-7+.
What are the key properties of (E)-1-(2,2-dimethylpropoxy)-2-methylbut-1-ene?
(E)-1-(2,2-dimethylpropoxy)-2-methylbut-1-ene has a molecular weight of 156.27 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2,2-dimethylpropoxy)-2-methylbut-1-ene is sourced from PubChem (CID 22234791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).