2,2,4,4-tetramethylpentane

C9H20 — CID 14058

IUPAC2,2,4,4-tetramethylpentane
SMILESCC(C)(C)CC(C)(C)C
InChIInChI=1S/C9H20/c1-8(2,3)7-9(4,5)6/h7H2,1-6H3
InChIKeyGUMULFRCHLJNDY-UHFFFAOYSA-N
MW128.26 g/mol
LogP3.47
Rot. Bonds

About 2,2,4,4-tetramethylpentane

2,2,4,4-tetramethylpentane (PubChem CID 14058) has the molecular formula C9H20 and a molecular weight of 128.26 g/mol. Its IUPAC name is 2,2,4,4-tetramethylpentane.

Molecular Properties

Compound Name2,2,4,4-tetramethylpentane
PubChem CID14058
Molecular FormulaC9H20
Molecular Weight128.26 g/mol
Exact Mass128.16
IUPAC Name2,2,4,4-tetramethylpentane
SMILESCC(C)(C)CC(C)(C)C
InChIInChI=1S/C9H20/c1-8(2,3)7-9(4,5)6/h7H2,1-6H3
InChIKeyGUMULFRCHLJNDY-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.26
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethylpentane?
The IUPAC name of 2,2,4,4-tetramethylpentane (CID 14058) is 2,2,4,4-tetramethylpentane.
What is the SMILES notation for 2,2,4,4-tetramethylpentane?
The canonical SMILES for 2,2,4,4-tetramethylpentane is CC(C)(C)CC(C)(C)C.
What is the InChIKey of 2,2,4,4-tetramethylpentane?
The InChIKey is GUMULFRCHLJNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20/c1-8(2,3)7-9(4,5)6/h7H2,1-6H3.
What are the key properties of 2,2,4,4-tetramethylpentane?
2,2,4,4-tetramethylpentane has a molecular weight of 128.26 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethylpentane is sourced from PubChem (CID 14058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).