2-butan-2-yloxy-3-methylbut-2-ene

C9H18O — CID 521764

IUPAC2-butan-2-yloxy-3-methylbut-2-ene
SMILESCCC(C)OC(C)=C(C)C
InChIInChI=1S/C9H18O/c1-6-8(4)10-9(5)7(2)3/h8H,6H2,1-5H3
InChIKeyRSXKHSVGPBLMIL-UHFFFAOYSA-N
MW142.24 g/mol
LogP3.12
Rot. Bonds3

About 2-butan-2-yloxy-3-methylbut-2-ene

2-butan-2-yloxy-3-methylbut-2-ene (PubChem CID 521764) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 2-butan-2-yloxy-3-methylbut-2-ene.

Molecular Properties

Compound Name2-butan-2-yloxy-3-methylbut-2-ene
PubChem CID521764
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name2-butan-2-yloxy-3-methylbut-2-ene
SMILESCCC(C)OC(C)=C(C)C
InChIInChI=1S/C9H18O/c1-6-8(4)10-9(5)7(2)3/h8H,6H2,1-5H3
InChIKeyRSXKHSVGPBLMIL-UHFFFAOYSA-N
XLogP3.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 53.12
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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Related Compounds

2,3-Diethoxy-2-butene
CID 85436427
2-Methyl-3-((2-methylprop-1-en-1-yl)oxy)but-2-ene
CID 21625927
2-Butoxy-3-methylbut-2-ene
CID 85783026
2-Butene, 2-ethoxy-3-methyl-
CID 520823
2-Butene, 2-methyl-3-(1-methylethoxy)-
CID 521741
Pentane, 3-[(1,2-dimethyl-1-propenyl)oxy]-
CID 521765
(E)-2,3-diethoxybut-2-ene
CID 12203752
2-Fluorobut-2-ene;iron(2+);2-methyl-3-propoxybut-2-ene
CID 20806749
2-Methyl-3-propoxybut-2-ene
CID 20806751
2-Methyl-3-(3-methylbut-2-en-2-yloxy)but-2-ene
CID 21838842
2-(2-Methylprop-1-enoxy)butane
CID 23545502
1-(3-Methylbut-2-en-2-yloxy)pentane
CID 58862763

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yloxy-3-methylbut-2-ene?
The IUPAC name of 2-butan-2-yloxy-3-methylbut-2-ene (CID 521764) is 2-butan-2-yloxy-3-methylbut-2-ene.
What is the SMILES notation for 2-butan-2-yloxy-3-methylbut-2-ene?
The canonical SMILES for 2-butan-2-yloxy-3-methylbut-2-ene is CCC(C)OC(C)=C(C)C.
What is the InChIKey of 2-butan-2-yloxy-3-methylbut-2-ene?
The InChIKey is RSXKHSVGPBLMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-6-8(4)10-9(5)7(2)3/h8H,6H2,1-5H3.
What are the key properties of 2-butan-2-yloxy-3-methylbut-2-ene?
2-butan-2-yloxy-3-methylbut-2-ene has a molecular weight of 142.24 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yloxy-3-methylbut-2-ene is sourced from PubChem (CID 521764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).