2,2,4-trimethylheptane

C10H22 — CID 26839

IUPAC2,2,4-trimethylheptane
SMILESCCCC(C)CC(C)(C)C
InChIInChI=1S/C10H22/c1-6-7-9(2)8-10(3,4)5/h9H,6-8H2,1-5H3
InChIKeyIIYGOARYARWJBO-UHFFFAOYSA-N
MW142.29 g/mol
LogP3.86
Rot. Bonds3

About 2,2,4-trimethylheptane

2,2,4-trimethylheptane (PubChem CID 26839) has the molecular formula C10H22 and a molecular weight of 142.29 g/mol. Its IUPAC name is 2,2,4-trimethylheptane.

Molecular Properties

Compound Name2,2,4-trimethylheptane
PubChem CID26839
Molecular FormulaC10H22
Molecular Weight142.29 g/mol
Exact Mass142.17
IUPAC Name2,2,4-trimethylheptane
SMILESCCCC(C)CC(C)(C)C
InChIInChI=1S/C10H22/c1-6-7-9(2)8-10(3,4)5/h9H,6-8H2,1-5H3
InChIKeyIIYGOARYARWJBO-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.29
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethylheptane?
The IUPAC name of 2,2,4-trimethylheptane (CID 26839) is 2,2,4-trimethylheptane.
What is the SMILES notation for 2,2,4-trimethylheptane?
The canonical SMILES for 2,2,4-trimethylheptane is CCCC(C)CC(C)(C)C.
What is the InChIKey of 2,2,4-trimethylheptane?
The InChIKey is IIYGOARYARWJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22/c1-6-7-9(2)8-10(3,4)5/h9H,6-8H2,1-5H3.
What are the key properties of 2,2,4-trimethylheptane?
2,2,4-trimethylheptane has a molecular weight of 142.29 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethylheptane is sourced from PubChem (CID 26839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).