1-[1-(2,2-dimethylbutoxy)ethoxy]-2,2-dimethylbutane

C14H30O2 — CID 54255382

IUPAC1-[1-(2,2-dimethylbutoxy)ethoxy]-2,2-dimethylbutane
SMILESCCC(C)(C)COC(C)OCC(C)(C)CC
InChIInChI=1S/C14H30O2/c1-8-13(4,5)10-15-12(3)16-11-14(6,7)9-2/h12H,8-11H2,1-7H3
InChIKeyFZZQFYGODXDQOZ-UHFFFAOYSA-N
MW230.39 g/mol
LogP4.24
Rot. Bonds8

About 1-[1-(2,2-dimethylbutoxy)ethoxy]-2,2-dimethylbutane

1-[1-(2,2-dimethylbutoxy)ethoxy]-2,2-dimethylbutane (PubChem CID 54255382) has the molecular formula C14H30O2 and a molecular weight of 230.39 g/mol. Its IUPAC name is 1-[1-(2,2-dimethylbutoxy)ethoxy]-2,2-dimethylbutane.

Molecular Properties

Compound Name1-[1-(2,2-dimethylbutoxy)ethoxy]-2,2-dimethylbutane
PubChem CID54255382
Molecular FormulaC14H30O2
Molecular Weight230.39 g/mol
Exact Mass230.22
IUPAC Name1-[1-(2,2-dimethylbutoxy)ethoxy]-2,2-dimethylbutane
SMILESCCC(C)(C)COC(C)OCC(C)(C)CC
InChIInChI=1S/C14H30O2/c1-8-13(4,5)10-15-12(3)16-11-14(6,7)9-2/h12H,8-11H2,1-7H3
InChIKeyFZZQFYGODXDQOZ-UHFFFAOYSA-N
XLogP4.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.39
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-1-(3-methylbutan-2-yloxy)butane
CID 89381867
2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane
CID 123698451
2,2-dimethylbutoxyalumane
CID 174485642
2,2-dimethyl-1-(sulfanyloxymethoxy)butane
CID 89299323
2,2-dimethylbutyl (2S)-2-chloropropanoate
CID 167342652
1,1-diethoxyethane
CID 7765
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;propane
CID 90942978
3,3-dimethylpentane;2,2-dimethylpropane
CID 173299738
1,1-diethoxyethane;stannane
CID 87529398

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-dimethylbutoxy)ethoxy]-2,2-dimethylbutane?
The IUPAC name of 1-[1-(2,2-dimethylbutoxy)ethoxy]-2,2-dimethylbutane (CID 54255382) is 1-[1-(2,2-dimethylbutoxy)ethoxy]-2,2-dimethylbutane.
What is the SMILES notation for 1-[1-(2,2-dimethylbutoxy)ethoxy]-2,2-dimethylbutane?
The canonical SMILES for 1-[1-(2,2-dimethylbutoxy)ethoxy]-2,2-dimethylbutane is CCC(C)(C)COC(C)OCC(C)(C)CC.
What is the InChIKey of 1-[1-(2,2-dimethylbutoxy)ethoxy]-2,2-dimethylbutane?
The InChIKey is FZZQFYGODXDQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2/c1-8-13(4,5)10-15-12(3)16-11-14(6,7)9-2/h12H,8-11H2,1-7H3.
What are the key properties of 1-[1-(2,2-dimethylbutoxy)ethoxy]-2,2-dimethylbutane?
1-[1-(2,2-dimethylbutoxy)ethoxy]-2,2-dimethylbutane has a molecular weight of 230.39 g/mol, XLogP of 4.24, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-dimethylbutoxy)ethoxy]-2,2-dimethylbutane is sourced from PubChem (CID 54255382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).