2-methyl-2-(2-methylprop-1-enoxy)butane

C9H18O — CID 22234808

IUPAC2-methyl-2-(2-methylprop-1-enoxy)butane
SMILESCCC(C)(C)OC=C(C)C
InChIInChI=1S/C9H18O/c1-6-9(4,5)10-7-8(2)3/h7H,6H2,1-5H3
InChIKeyDZHPVOFKQOQFQI-UHFFFAOYSA-N
MW142.24 g/mol
LogP3.12
Rot. Bonds3

About 2-methyl-2-(2-methylprop-1-enoxy)butane

2-methyl-2-(2-methylprop-1-enoxy)butane (PubChem CID 22234808) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 2-methyl-2-(2-methylprop-1-enoxy)butane.

Molecular Properties

Compound Name2-methyl-2-(2-methylprop-1-enoxy)butane
PubChem CID22234808
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name2-methyl-2-(2-methylprop-1-enoxy)butane
SMILESCCC(C)(C)OC=C(C)C
InChIInChI=1S/C9H18O/c1-6-9(4,5)10-7-8(2)3/h7H,6H2,1-5H3
InChIKeyDZHPVOFKQOQFQI-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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-methylprop-1-enoxy)butane?
The IUPAC name of 2-methyl-2-(2-methylprop-1-enoxy)butane (CID 22234808) is 2-methyl-2-(2-methylprop-1-enoxy)butane.
What is the SMILES notation for 2-methyl-2-(2-methylprop-1-enoxy)butane?
The canonical SMILES for 2-methyl-2-(2-methylprop-1-enoxy)butane is CCC(C)(C)OC=C(C)C.
What is the InChIKey of 2-methyl-2-(2-methylprop-1-enoxy)butane?
The InChIKey is DZHPVOFKQOQFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-6-9(4,5)10-7-8(2)3/h7H,6H2,1-5H3.
What are the key properties of 2-methyl-2-(2-methylprop-1-enoxy)butane?
2-methyl-2-(2-methylprop-1-enoxy)butane 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-methyl-2-(2-methylprop-1-enoxy)butane is sourced from PubChem (CID 22234808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).