2-(2-methylpropoxy)butane

C8H18O — CID 18739299

IUPAC2-(2-methylpropoxy)butane
SMILESCCC(C)OCC(C)C
InChIInChI=1S/C8H18O/c1-5-8(4)9-6-7(2)3/h7-8H,5-6H2,1-4H3
InChIKeyQZMIAUUXMOAEPN-UHFFFAOYSA-N
MW130.23 g/mol
LogP2.46
Rot. Bonds4

About 2-(2-methylpropoxy)butane

2-(2-methylpropoxy)butane (PubChem CID 18739299) has the molecular formula C8H18O and a molecular weight of 130.23 g/mol. Its IUPAC name is 2-(2-methylpropoxy)butane.

Molecular Properties

Compound Name2-(2-methylpropoxy)butane
PubChem CID18739299
Molecular FormulaC8H18O
Molecular Weight130.23 g/mol
Exact Mass130.14
IUPAC Name2-(2-methylpropoxy)butane
SMILESCCC(C)OCC(C)C
InChIInChI=1S/C8H18O/c1-5-8(4)9-6-7(2)3/h7-8H,5-6H2,1-4H3
InChIKeyQZMIAUUXMOAEPN-UHFFFAOYSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Bis(2-butyl) ether
CID 23294
Isobutyl ether
CID 12346
Isopropyl tert-butyl ether
CID 118384
Propane, 2-methyl-2-(1-methylethoxy)-
CID 28488
Butane, 1-(2-methylpropoxy)-
CID 86932
Propane, 2-methyl-1-propoxy-
CID 139920
1-(1-Methylpropoxy)butane
CID 545725
2-(1,1-Dimethylethoxy)butane
CID 36292
2-Methyl-1-((propan-2-yl)oxy)propane
CID 14671559
2-((Propan-2-yl)oxy)butane
CID 29179
3-((Pentan-3-yl)oxy)pentane
CID 19819093
3-Methylbutyl 1-methylethyl ether
CID 21894216

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)butane?
The IUPAC name of 2-(2-methylpropoxy)butane (CID 18739299) is 2-(2-methylpropoxy)butane.
What is the SMILES notation for 2-(2-methylpropoxy)butane?
The canonical SMILES for 2-(2-methylpropoxy)butane is CCC(C)OCC(C)C.
What is the InChIKey of 2-(2-methylpropoxy)butane?
The InChIKey is QZMIAUUXMOAEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O/c1-5-8(4)9-6-7(2)3/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-(2-methylpropoxy)butane?
2-(2-methylpropoxy)butane has a molecular weight of 130.23 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)butane is sourced from PubChem (CID 18739299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).