2-ethoxy-2,3,3-trimethylbutane

C9H20O — CID 58781665

IUPAC2-ethoxy-2,3,3-trimethylbutane
SMILESCCOC(C)(C)C(C)(C)C
InChIInChI=1S/C9H20O/c1-7-10-9(5,6)8(2,3)4/h7H2,1-6H3
InChIKeyOMJLNQRUFYGZAE-UHFFFAOYSA-N
MW144.26 g/mol
LogP2.85
Rot. Bonds2

About 2-ethoxy-2,3,3-trimethylbutane

2-ethoxy-2,3,3-trimethylbutane (PubChem CID 58781665) has the molecular formula C9H20O and a molecular weight of 144.26 g/mol. Its IUPAC name is 2-ethoxy-2,3,3-trimethylbutane.

Molecular Properties

Compound Name2-ethoxy-2,3,3-trimethylbutane
PubChem CID58781665
Molecular FormulaC9H20O
Molecular Weight144.26 g/mol
Exact Mass144.15
IUPAC Name2-ethoxy-2,3,3-trimethylbutane
SMILESCCOC(C)(C)C(C)(C)C
InChIInChI=1S/C9H20O/c1-7-10-9(5,6)8(2,3)4/h7H2,1-6H3
InChIKeyOMJLNQRUFYGZAE-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2,3,3-trimethylbutane?
The IUPAC name of 2-ethoxy-2,3,3-trimethylbutane (CID 58781665) is 2-ethoxy-2,3,3-trimethylbutane.
What is the SMILES notation for 2-ethoxy-2,3,3-trimethylbutane?
The canonical SMILES for 2-ethoxy-2,3,3-trimethylbutane is CCOC(C)(C)C(C)(C)C.
What is the InChIKey of 2-ethoxy-2,3,3-trimethylbutane?
The InChIKey is OMJLNQRUFYGZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O/c1-7-10-9(5,6)8(2,3)4/h7H2,1-6H3.
What are the key properties of 2-ethoxy-2,3,3-trimethylbutane?
2-ethoxy-2,3,3-trimethylbutane has a molecular weight of 144.26 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2,3,3-trimethylbutane is sourced from PubChem (CID 58781665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).