2,2,4-trimethylpentane

C8H18 — CID 10907

IUPAC2,2,4-trimethylpentane
SMILESCC(C)CC(C)(C)C
InChIInChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3
InChIKeyNHTMVDHEPJAVLT-UHFFFAOYSA-N
MW114.23 g/mol
LogP3.08
Rot. Bonds1

About 2,2,4-trimethylpentane

2,2,4-trimethylpentane (PubChem CID 10907) has the molecular formula C8H18 and a molecular weight of 114.23 g/mol. Its IUPAC name is 2,2,4-trimethylpentane.

Molecular Properties

Compound Name2,2,4-trimethylpentane
PubChem CID10907
Molecular FormulaC8H18
Molecular Weight114.23 g/mol
Exact Mass114.14
IUPAC Name2,2,4-trimethylpentane
SMILESCC(C)CC(C)(C)C
InChIInChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3
InChIKeyNHTMVDHEPJAVLT-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.23
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethylpentane?
The IUPAC name of 2,2,4-trimethylpentane (CID 10907) is 2,2,4-trimethylpentane.
What is the SMILES notation for 2,2,4-trimethylpentane?
The canonical SMILES for 2,2,4-trimethylpentane is CC(C)CC(C)(C)C.
What is the InChIKey of 2,2,4-trimethylpentane?
The InChIKey is NHTMVDHEPJAVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3.
What are the key properties of 2,2,4-trimethylpentane?
2,2,4-trimethylpentane has a molecular weight of 114.23 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethylpentane is sourced from PubChem (CID 10907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).