2,2-dimethyl-1-(3-methylbutan-2-yloxy)butane

C11H24O — CID 89381867

IUPAC2,2-dimethyl-1-(3-methylbutan-2-yloxy)butane
SMILESCCC(C)(C)COC(C)C(C)C
InChIInChI=1S/C11H24O/c1-7-11(5,6)8-12-10(4)9(2)3/h9-10H,7-8H2,1-6H3
InChIKeyKNWVPVJADHCMES-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.48
Rot. Bonds5

About 2,2-dimethyl-1-(3-methylbutan-2-yloxy)butane

2,2-dimethyl-1-(3-methylbutan-2-yloxy)butane (PubChem CID 89381867) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 2,2-dimethyl-1-(3-methylbutan-2-yloxy)butane.

Molecular Properties

Compound Name2,2-dimethyl-1-(3-methylbutan-2-yloxy)butane
PubChem CID89381867
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name2,2-dimethyl-1-(3-methylbutan-2-yloxy)butane
SMILESCCC(C)(C)COC(C)C(C)C
InChIInChI=1S/C11H24O/c1-7-11(5,6)8-12-10(4)9(2)3/h9-10H,7-8H2,1-6H3
InChIKeyKNWVPVJADHCMES-UHFFFAOYSA-N
XLogP3.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(2,2-dimethylbutoxy)ethoxy]-2,2-dimethylbutane
CID 54255382
2-methyl-3-(2,2,2-trifluoroethoxy)butane
CID 59061021
2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane
CID 123698451
2,2-dimethylbutoxyalumane
CID 174485642
3-[(3R)-3-bromobutan-2-yl]oxy-2,2-dimethylpropan-1-ol
CID 126629923
2,2-dimethylbutyl (2S)-2-chloropropanoate
CID 167342652
2,2-dimethyl-N,N-di(propan-2-yl)butan-1-amine
CID 59066833
2-(6,6-dimethyloctan-2-yloxy)-6,6-dimethyloctane
CID 57197870
tetrakis(3,3-dimethylpentane);methane
CID 159658641
3,3-dimethylpentane;methane
CID 158185076
3,3-dimethylpentane;2,2-dimethylpropane
CID 173299738
3,3-dimethylpentane;propane
CID 90942978

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(3-methylbutan-2-yloxy)butane?
The IUPAC name of 2,2-dimethyl-1-(3-methylbutan-2-yloxy)butane (CID 89381867) is 2,2-dimethyl-1-(3-methylbutan-2-yloxy)butane.
What is the SMILES notation for 2,2-dimethyl-1-(3-methylbutan-2-yloxy)butane?
The canonical SMILES for 2,2-dimethyl-1-(3-methylbutan-2-yloxy)butane is CCC(C)(C)COC(C)C(C)C.
What is the InChIKey of 2,2-dimethyl-1-(3-methylbutan-2-yloxy)butane?
The InChIKey is KNWVPVJADHCMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-7-11(5,6)8-12-10(4)9(2)3/h9-10H,7-8H2,1-6H3.
What are the key properties of 2,2-dimethyl-1-(3-methylbutan-2-yloxy)butane?
2,2-dimethyl-1-(3-methylbutan-2-yloxy)butane has a molecular weight of 172.31 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(3-methylbutan-2-yloxy)butane is sourced from PubChem (CID 89381867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).