2-methyl-2-[(2-methylpropan-2-yl)oxy]butane

C9H20O — CID 22151631

IUPAC2-methyl-2-[(2-methylpropan-2-yl)oxy]butane
SMILESCCC(C)(C)OC(C)(C)C
InChIInChI=1S/C9H20O/c1-7-9(5,6)10-8(2,3)4/h7H2,1-6H3
InChIKeyHSTHNOSSHJYNOT-UHFFFAOYSA-N
MW144.26 g/mol
LogP2.99
Rot. Bonds2

About 2-methyl-2-[(2-methylpropan-2-yl)oxy]butane

2-methyl-2-[(2-methylpropan-2-yl)oxy]butane (PubChem CID 22151631) has the molecular formula C9H20O and a molecular weight of 144.26 g/mol. Its IUPAC name is 2-methyl-2-[(2-methylpropan-2-yl)oxy]butane.

Molecular Properties

Compound Name2-methyl-2-[(2-methylpropan-2-yl)oxy]butane
PubChem CID22151631
Molecular FormulaC9H20O
Molecular Weight144.26 g/mol
Exact Mass144.15
IUPAC Name2-methyl-2-[(2-methylpropan-2-yl)oxy]butane
SMILESCCC(C)(C)OC(C)(C)C
InChIInChI=1S/C9H20O/c1-7-9(5,6)10-8(2,3)4/h7H2,1-6H3
InChIKeyHSTHNOSSHJYNOT-UHFFFAOYSA-N
XLogP2.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methylpropan-2-yl)oxy]butane?
The IUPAC name of 2-methyl-2-[(2-methylpropan-2-yl)oxy]butane (CID 22151631) is 2-methyl-2-[(2-methylpropan-2-yl)oxy]butane.
What is the SMILES notation for 2-methyl-2-[(2-methylpropan-2-yl)oxy]butane?
The canonical SMILES for 2-methyl-2-[(2-methylpropan-2-yl)oxy]butane is CCC(C)(C)OC(C)(C)C.
What is the InChIKey of 2-methyl-2-[(2-methylpropan-2-yl)oxy]butane?
The InChIKey is HSTHNOSSHJYNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O/c1-7-9(5,6)10-8(2,3)4/h7H2,1-6H3.
What are the key properties of 2-methyl-2-[(2-methylpropan-2-yl)oxy]butane?
2-methyl-2-[(2-methylpropan-2-yl)oxy]butane has a molecular weight of 144.26 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methylpropan-2-yl)oxy]butane is sourced from PubChem (CID 22151631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).