2,2,5-trimethyldodecane

C15H32 — CID 54169953

IUPAC2,2,5-trimethyldodecane
SMILESCCCCCCCC(C)CCC(C)(C)C
InChIInChI=1S/C15H32/c1-6-7-8-9-10-11-14(2)12-13-15(3,4)5/h14H,6-13H2,1-5H3
InChIKeyOUHUXVYLBXICFN-UHFFFAOYSA-N
MW212.42 g/mol
LogP5.81
Rot. Bonds8

About 2,2,5-trimethyldodecane

2,2,5-trimethyldodecane (PubChem CID 54169953) has the molecular formula C15H32 and a molecular weight of 212.42 g/mol. Its IUPAC name is 2,2,5-trimethyldodecane.

Molecular Properties

Compound Name2,2,5-trimethyldodecane
PubChem CID54169953
Molecular FormulaC15H32
Molecular Weight212.42 g/mol
Exact Mass212.25
IUPAC Name2,2,5-trimethyldodecane
SMILESCCCCCCCC(C)CCC(C)(C)C
InChIInChI=1S/C15H32/c1-6-7-8-9-10-11-14(2)12-13-15(3,4)5/h14H,6-13H2,1-5H3
InChIKeyOUHUXVYLBXICFN-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500212.42
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,5-trimethyl-11-propan-2-ylpentadecane
CID 123879989
2,2,7-trimethylundecane
CID 57491501
6-methyloctacosane
CID 22223942
6-methylheptacosane
CID 22223776
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274
15-methylhexatriacontane
CID 86002594
10,16-dimethyldotriacontane
CID 91748795
15-methyldotriacontane
CID 54168480
20-methyltetracontane
CID 20659070
8-methyloctacosane
CID 22224109
13,19-dimethylhentriacontane
CID 86136051

Frequently Asked Questions

What is the IUPAC name of 2,2,5-trimethyldodecane?
The IUPAC name of 2,2,5-trimethyldodecane (CID 54169953) is 2,2,5-trimethyldodecane.
What is the SMILES notation for 2,2,5-trimethyldodecane?
The canonical SMILES for 2,2,5-trimethyldodecane is CCCCCCCC(C)CCC(C)(C)C.
What is the InChIKey of 2,2,5-trimethyldodecane?
The InChIKey is OUHUXVYLBXICFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32/c1-6-7-8-9-10-11-14(2)12-13-15(3,4)5/h14H,6-13H2,1-5H3.
What are the key properties of 2,2,5-trimethyldodecane?
2,2,5-trimethyldodecane has a molecular weight of 212.42 g/mol, XLogP of 5.81, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trimethyldodecane is sourced from PubChem (CID 54169953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).