2,2,3,4-tetramethylpentane

C9H20 — CID 14462

IUPAC2,2,3,4-tetramethylpentane
SMILESCC(C)C(C)C(C)(C)C
InChIInChI=1S/C9H20/c1-7(2)8(3)9(4,5)6/h7-8H,1-6H3
InChIKeyVZFMYOCAEQDWDY-UHFFFAOYSA-N
MW128.26 g/mol
LogP3.32
Rot. Bonds1

About 2,2,3,4-tetramethylpentane

2,2,3,4-tetramethylpentane (PubChem CID 14462) has the molecular formula C9H20 and a molecular weight of 128.26 g/mol. Its IUPAC name is 2,2,3,4-tetramethylpentane.

Molecular Properties

Compound Name2,2,3,4-tetramethylpentane
PubChem CID14462
Molecular FormulaC9H20
Molecular Weight128.26 g/mol
Exact Mass128.16
IUPAC Name2,2,3,4-tetramethylpentane
SMILESCC(C)C(C)C(C)(C)C
InChIInChI=1S/C9H20/c1-7(2)8(3)9(4,5)6/h7-8H,1-6H3
InChIKeyVZFMYOCAEQDWDY-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.26
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,2,3,4-tetramethylpentane 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 2,2,3,4-tetramethylpentane?
The IUPAC name of 2,2,3,4-tetramethylpentane (CID 14462) is 2,2,3,4-tetramethylpentane.
What is the SMILES notation for 2,2,3,4-tetramethylpentane?
The canonical SMILES for 2,2,3,4-tetramethylpentane is CC(C)C(C)C(C)(C)C.
What is the InChIKey of 2,2,3,4-tetramethylpentane?
The InChIKey is VZFMYOCAEQDWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20/c1-7(2)8(3)9(4,5)6/h7-8H,1-6H3.
What are the key properties of 2,2,3,4-tetramethylpentane?
2,2,3,4-tetramethylpentane has a molecular weight of 128.26 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,4-tetramethylpentane is sourced from PubChem (CID 14462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).