4,6,6-trimethyldodecane

C15H32 — CID 123621829

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

About 4,6,6-trimethyldodecane

4,6,6-trimethyldodecane (PubChem CID 123621829) has the molecular formula C15H32 and a molecular weight of 212.42 g/mol. Its IUPAC name is 4,6,6-trimethyldodecane.

Molecular Properties

Compound Name4,6,6-trimethyldodecane
PubChem CID123621829
Molecular FormulaC15H32
Molecular Weight212.42 g/mol
Exact Mass212.25
IUPAC Name4,6,6-trimethyldodecane
SMILESCCCCCCC(C)(C)CC(C)CCC
InChIInChI=1S/C15H32/c1-6-8-9-10-12-15(4,5)13-14(3)11-7-2/h14H,6-13H2,1-5H3
InChIKeyFQQAHQQJBPSTKK-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

pentane;7,7,9-trimethylpentadecane
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6,6,8-trimethyltridecane
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4,4,6,12-tetramethyloctadecane
CID 123154666
4,4-dimethyldodecan-2-amine
CID 64715723
4,4-dimethyldecan-2-ol
CID 19931322
3,6,6,8-tetramethylundecane
CID 90718379
3,7,7-trimethyltridecane
CID 123996242
16,16,21,21-tetramethylhexatriacontane
CID 174880889
N-ethyl-4,4-dimethyldodecan-2-amine
CID 64717862
N-ethyl-4,4-dimethyltetradecan-2-amine
CID 64718292
ethane;(5R)-3,3,5-trimethyloctane
CID 143538899
2,2,4-trimethylundecane
CID 57127021

Frequently Asked Questions

What is the IUPAC name of 4,6,6-trimethyldodecane?
The IUPAC name of 4,6,6-trimethyldodecane (CID 123621829) is 4,6,6-trimethyldodecane.
What is the SMILES notation for 4,6,6-trimethyldodecane?
The canonical SMILES for 4,6,6-trimethyldodecane is CCCCCCC(C)(C)CC(C)CCC.
What is the InChIKey of 4,6,6-trimethyldodecane?
The InChIKey is FQQAHQQJBPSTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32/c1-6-8-9-10-12-15(4,5)13-14(3)11-7-2/h14H,6-13H2,1-5H3.
What are the key properties of 4,6,6-trimethyldodecane?
4,6,6-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 4,6,6-trimethyldodecane is sourced from PubChem (CID 123621829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).