2-methoxy-2,3,3-trimethylbutane

C8H18O — CID 551992

IUPAC2-methoxy-2,3,3-trimethylbutane
SMILESCOC(C)(C)C(C)(C)C
InChIInChI=1S/C8H18O/c1-7(2,3)8(4,5)9-6/h1-6H3
InChIKeyFTACTAWTKDTQSA-UHFFFAOYSA-N
MW130.23 g/mol
LogP2.46
Rot. Bonds1

About 2-methoxy-2,3,3-trimethylbutane

2-methoxy-2,3,3-trimethylbutane (PubChem CID 551992) has the molecular formula C8H18O and a molecular weight of 130.23 g/mol. Its IUPAC name is 2-methoxy-2,3,3-trimethylbutane.

Molecular Properties

Compound Name2-methoxy-2,3,3-trimethylbutane
PubChem CID551992
Molecular FormulaC8H18O
Molecular Weight130.23 g/mol
Exact Mass130.14
IUPAC Name2-methoxy-2,3,3-trimethylbutane
SMILESCOC(C)(C)C(C)(C)C
InChIInChI=1S/C8H18O/c1-7(2,3)8(4,5)9-6/h1-6H3
InChIKeyFTACTAWTKDTQSA-UHFFFAOYSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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

Analyze 2-methoxy-2,3,3-trimethylbutane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2,3,3-trimethylbutane?
The IUPAC name of 2-methoxy-2,3,3-trimethylbutane (CID 551992) is 2-methoxy-2,3,3-trimethylbutane.
What is the SMILES notation for 2-methoxy-2,3,3-trimethylbutane?
The canonical SMILES for 2-methoxy-2,3,3-trimethylbutane is COC(C)(C)C(C)(C)C.
What is the InChIKey of 2-methoxy-2,3,3-trimethylbutane?
The InChIKey is FTACTAWTKDTQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O/c1-7(2,3)8(4,5)9-6/h1-6H3.
What are the key properties of 2-methoxy-2,3,3-trimethylbutane?
2-methoxy-2,3,3-trimethylbutane has a molecular weight of 130.23 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2,3,3-trimethylbutane is sourced from PubChem (CID 551992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).