2-methyl-1-(3-methylbut-2-en-2-yloxy)butane

C10H20O — CID 150088087

IUPAC2-methyl-1-(3-methylbut-2-en-2-yloxy)butane
SMILESCCC(C)COC(C)=C(C)C
InChIInChI=1S/C10H20O/c1-6-9(4)7-11-10(5)8(2)3/h9H,6-7H2,1-5H3
InChIKeyDSQPQFMSUYYFFZ-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.36
Rot. Bonds4

About 2-methyl-1-(3-methylbut-2-en-2-yloxy)butane

2-methyl-1-(3-methylbut-2-en-2-yloxy)butane (PubChem CID 150088087) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 2-methyl-1-(3-methylbut-2-en-2-yloxy)butane.

Molecular Properties

Compound Name2-methyl-1-(3-methylbut-2-en-2-yloxy)butane
PubChem CID150088087
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name2-methyl-1-(3-methylbut-2-en-2-yloxy)butane
SMILESCCC(C)COC(C)=C(C)C
InChIInChI=1S/C10H20O/c1-6-9(4)7-11-10(5)8(2)3/h9H,6-7H2,1-5H3
InChIKeyDSQPQFMSUYYFFZ-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
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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Related Compounds

2-Butoxy-3-methylbut-2-ene
CID 85783026
2-Butene, 2-methyl-3-(1-methylethoxy)-
CID 521741
2-Methyl-3-propoxybut-2-ene
CID 20806751
1-(3-Methylbut-2-en-2-yloxy)pentane
CID 58862763
1-But-2-en-2-yloxy-3-methylbutane
CID 123230570
1-But-2-en-2-yloxy-2-methylbutane
CID 123728104
3-(3-Methylbut-2-en-2-yloxymethyl)pentane
CID 149747894
3-Methyl-1-(3-methylbut-2-en-2-yloxy)butane
CID 150252231
Ethane;2-ethoxy-3-methylbut-2-ene
CID 156797173
2-Butene,2-methyl-3-(1-methylpropoxy)-
CID 521764
2-methyl-1-[(Z)-3-(2-methylbutoxy)but-2-en-2-yl]oxybutane
CID 142998866
1-[(E)-but-2-en-2-yl]oxy-3-methylbutane
CID 144334003

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methylbut-2-en-2-yloxy)butane?
The IUPAC name of 2-methyl-1-(3-methylbut-2-en-2-yloxy)butane (CID 150088087) is 2-methyl-1-(3-methylbut-2-en-2-yloxy)butane.
What is the SMILES notation for 2-methyl-1-(3-methylbut-2-en-2-yloxy)butane?
The canonical SMILES for 2-methyl-1-(3-methylbut-2-en-2-yloxy)butane is CCC(C)COC(C)=C(C)C.
What is the InChIKey of 2-methyl-1-(3-methylbut-2-en-2-yloxy)butane?
The InChIKey is DSQPQFMSUYYFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-6-9(4)7-11-10(5)8(2)3/h9H,6-7H2,1-5H3.
What are the key properties of 2-methyl-1-(3-methylbut-2-en-2-yloxy)butane?
2-methyl-1-(3-methylbut-2-en-2-yloxy)butane has a molecular weight of 156.27 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methylbut-2-en-2-yloxy)butane is sourced from PubChem (CID 150088087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).