3-ethoxy-2,2-dimethylbutane

C8H18O — CID 12892133

IUPAC3-ethoxy-2,2-dimethylbutane
SMILESCCOC(C)C(C)(C)C
InChIInChI=1S/C8H18O/c1-6-9-7(2)8(3,4)5/h7H,6H2,1-5H3
InChIKeyVXQNOFUUYFPASX-UHFFFAOYSA-N
MW130.23 g/mol
LogP2.46
Rot. Bonds2

About 3-ethoxy-2,2-dimethylbutane

3-ethoxy-2,2-dimethylbutane (PubChem CID 12892133) has the molecular formula C8H18O and a molecular weight of 130.23 g/mol. Its IUPAC name is 3-ethoxy-2,2-dimethylbutane.

Molecular Properties

Compound Name3-ethoxy-2,2-dimethylbutane
PubChem CID12892133
Molecular FormulaC8H18O
Molecular Weight130.23 g/mol
Exact Mass130.14
IUPAC Name3-ethoxy-2,2-dimethylbutane
SMILESCCOC(C)C(C)(C)C
InChIInChI=1S/C8H18O/c1-6-9-7(2)8(3,4)5/h7H,6H2,1-5H3
InChIKeyVXQNOFUUYFPASX-UHFFFAOYSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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

1,1'-Oxybis(3,3-dimethylbutane)
CID 22662188
Ether, tert-butyl 3,3-dimethylbutyl
CID 546092
Pinacolyl ether
CID 13843575
Methyl-2,2-dimethylethyl ether
CID 13843577
Isopropanol t-butylmethylether
CID 15646847
1-(2,2-Dimethylbutoxy)-2,2-dimethylbutane
CID 17885937
Hexamethylather
CID 20782660
2,2-Dimethyl 3-butoxy-butane
CID 57587820
Pentamethylather
CID 58781665
tert-Butylmethylather
CID 117808727
2-(2,2-Dimethylpropoxy)-1,1,1-trifluoro-3,3-dimethylbutane
CID 89819531
1,1,1-Trifluoro-3,3-dimethyl-2-propan-2-yloxybutane
CID 146382841

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,2-dimethylbutane?
The IUPAC name of 3-ethoxy-2,2-dimethylbutane (CID 12892133) is 3-ethoxy-2,2-dimethylbutane.
What is the SMILES notation for 3-ethoxy-2,2-dimethylbutane?
The canonical SMILES for 3-ethoxy-2,2-dimethylbutane is CCOC(C)C(C)(C)C.
What is the InChIKey of 3-ethoxy-2,2-dimethylbutane?
The InChIKey is VXQNOFUUYFPASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O/c1-6-9-7(2)8(3,4)5/h7H,6H2,1-5H3.
What are the key properties of 3-ethoxy-2,2-dimethylbutane?
3-ethoxy-2,2-dimethylbutane has a molecular weight of 130.23 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,2-dimethylbutane is sourced from PubChem (CID 12892133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).