2,2,3,5-tetramethylheptane

C11H24 — CID 545795

IUPAC2,2,3,5-tetramethylheptane
SMILESCCC(C)CC(C)C(C)(C)C
InChIInChI=1S/C11H24/c1-7-9(2)8-10(3)11(4,5)6/h9-10H,7-8H2,1-6H3
InChIKeyKXNFNEAZTWCHIL-UHFFFAOYSA-N
MW156.31 g/mol
LogP4.10
Rot. Bonds3

About 2,2,3,5-tetramethylheptane

2,2,3,5-tetramethylheptane (PubChem CID 545795) has the molecular formula C11H24 and a molecular weight of 156.31 g/mol. Its IUPAC name is 2,2,3,5-tetramethylheptane.

Molecular Properties

Compound Name2,2,3,5-tetramethylheptane
PubChem CID545795
Molecular FormulaC11H24
Molecular Weight156.31 g/mol
Exact Mass156.19
IUPAC Name2,2,3,5-tetramethylheptane
SMILESCCC(C)CC(C)C(C)(C)C
InChIInChI=1S/C11H24/c1-7-9(2)8-10(3)11(4,5)6/h9-10H,7-8H2,1-6H3
InChIKeyKXNFNEAZTWCHIL-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.31
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,2,3,5-tetramethylheptane 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 2,2,3,5-tetramethylheptane?
The IUPAC name of 2,2,3,5-tetramethylheptane (CID 545795) is 2,2,3,5-tetramethylheptane.
What is the SMILES notation for 2,2,3,5-tetramethylheptane?
The canonical SMILES for 2,2,3,5-tetramethylheptane is CCC(C)CC(C)C(C)(C)C.
What is the InChIKey of 2,2,3,5-tetramethylheptane?
The InChIKey is KXNFNEAZTWCHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24/c1-7-9(2)8-10(3)11(4,5)6/h9-10H,7-8H2,1-6H3.
What are the key properties of 2,2,3,5-tetramethylheptane?
2,2,3,5-tetramethylheptane has a molecular weight of 156.31 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,5-tetramethylheptane is sourced from PubChem (CID 545795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).