2,2,4,5-tetramethylnonane

C13H28 — CID 57490937

IUPAC2,2,4,5-tetramethylnonane
SMILESCCCCC(C)C(C)CC(C)(C)C
InChIInChI=1S/C13H28/c1-7-8-9-11(2)12(3)10-13(4,5)6/h11-12H,7-10H2,1-6H3
InChIKeyVXQAEDAXFWAIES-UHFFFAOYSA-N
MW184.37 g/mol
LogP4.89
Rot. Bonds5

About 2,2,4,5-tetramethylnonane

2,2,4,5-tetramethylnonane (PubChem CID 57490937) has the molecular formula C13H28 and a molecular weight of 184.37 g/mol. Its IUPAC name is 2,2,4,5-tetramethylnonane.

Molecular Properties

Compound Name2,2,4,5-tetramethylnonane
PubChem CID57490937
Molecular FormulaC13H28
Molecular Weight184.37 g/mol
Exact Mass184.22
IUPAC Name2,2,4,5-tetramethylnonane
SMILESCCCCC(C)C(C)CC(C)(C)C
InChIInChI=1S/C13H28/c1-7-8-9-11(2)12(3)10-13(4,5)6/h11-12H,7-10H2,1-6H3
InChIKeyVXQAEDAXFWAIES-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.37
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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(5S,6R)-2,5,6-trimethyldecane
CID 154723790
16,17-dimethyltritriacontane
CID 91506561
(10S,11S)-10,11-dimethylicosane
CID 14870619
11,12-dimethyloctacosane
CID 23345853
11,12-dimethyltricosane
CID 173430605
8,9-dimethylhexacosane
CID 160651612
2,3-dimethylheptylalumane
CID 175084040
pentacontane;2,2,4-trimethylpentane
CID 174882537
2,2,4,5,6,6-hexamethylnonane
CID 123538800

Frequently Asked Questions

What is the IUPAC name of 2,2,4,5-tetramethylnonane?
The IUPAC name of 2,2,4,5-tetramethylnonane (CID 57490937) is 2,2,4,5-tetramethylnonane.
What is the SMILES notation for 2,2,4,5-tetramethylnonane?
The canonical SMILES for 2,2,4,5-tetramethylnonane is CCCCC(C)C(C)CC(C)(C)C.
What is the InChIKey of 2,2,4,5-tetramethylnonane?
The InChIKey is VXQAEDAXFWAIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28/c1-7-8-9-11(2)12(3)10-13(4,5)6/h11-12H,7-10H2,1-6H3.
What are the key properties of 2,2,4,5-tetramethylnonane?
2,2,4,5-tetramethylnonane has a molecular weight of 184.37 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,5-tetramethylnonane is sourced from PubChem (CID 57490937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).