4,5,5-trimethyldodecane

C15H32 — CID 123360574

IUPAC4,5,5-trimethyldodecane
SMILESCCCCCCCC(C)(C)C(C)CCC
InChIInChI=1S/C15H32/c1-6-8-9-10-11-13-15(4,5)14(3)12-7-2/h14H,6-13H2,1-5H3
InChIKeyWXQFLUKJDSNKLM-UHFFFAOYSA-N
MW212.42 g/mol
LogP5.81
Rot. Bonds9

About 4,5,5-trimethyldodecane

4,5,5-trimethyldodecane (PubChem CID 123360574) has the molecular formula C15H32 and a molecular weight of 212.42 g/mol. Its IUPAC name is 4,5,5-trimethyldodecane.

Molecular Properties

Compound Name4,5,5-trimethyldodecane
PubChem CID123360574
Molecular FormulaC15H32
Molecular Weight212.42 g/mol
Exact Mass212.25
IUPAC Name4,5,5-trimethyldodecane
SMILESCCCCCCCC(C)(C)C(C)CCC
InChIInChI=1S/C15H32/c1-6-8-9-10-11-13-15(4,5)14(3)12-7-2/h14H,6-13H2,1-5H3
InChIKeyWXQFLUKJDSNKLM-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
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

2,3,3-trimethyloctadecane
CID 90966938
3,3-dimethylnonan-2-ol
CID 19931299
3,3-dimethyldecan-2-ol
CID 87975868
11-(2-methylheptan-2-yl)docosane
CID 57252514
ethane;2,3,3-trimethyloctane
CID 142049944
ethane;heptane;3,4,4-trimethyloctylcyclopentane
CID 142984263
2,2,4,4-tetramethyl-3-propan-2-ylnonane
CID 21202923
1-ethylsulfanyl-4,5,5-trimethylnonane
CID 138600453
4-ethyl-3,4-dimethylundecan-1-ol
CID 123259629
3,3,4-trimethylheptylhydrazine
CID 163637061
11,12-dimethylheptacosan-11-amine
CID 174255229
14-hexyl-13-(2-methylundecan-2-yl)triacontane
CID 19962270

Frequently Asked Questions

What is the IUPAC name of 4,5,5-trimethyldodecane?
The IUPAC name of 4,5,5-trimethyldodecane (CID 123360574) is 4,5,5-trimethyldodecane.
What is the SMILES notation for 4,5,5-trimethyldodecane?
The canonical SMILES for 4,5,5-trimethyldodecane is CCCCCCCC(C)(C)C(C)CCC.
What is the InChIKey of 4,5,5-trimethyldodecane?
The InChIKey is WXQFLUKJDSNKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32/c1-6-8-9-10-11-13-15(4,5)14(3)12-7-2/h14H,6-13H2,1-5H3.
What are the key properties of 4,5,5-trimethyldodecane?
4,5,5-trimethyldodecane has a molecular weight of 212.42 g/mol, XLogP of 5.81, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5-trimethyldodecane is sourced from PubChem (CID 123360574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).