6,6,8-trimethyltridecane

C16H34 — CID 123736183

IUPAC6,6,8-trimethyltridecane
SMILESCCCCCC(C)CC(C)(C)CCCCC
InChIInChI=1S/C16H34/c1-6-8-10-12-15(3)14-16(4,5)13-11-9-7-2/h15H,6-14H2,1-5H3
InChIKeyOTLZZIQVXWOEFA-UHFFFAOYSA-N
MW226.45 g/mol
LogP6.20
Rot. Bonds10

About 6,6,8-trimethyltridecane

6,6,8-trimethyltridecane (PubChem CID 123736183) has the molecular formula C16H34 and a molecular weight of 226.45 g/mol. Its IUPAC name is 6,6,8-trimethyltridecane.

Molecular Properties

Compound Name6,6,8-trimethyltridecane
PubChem CID123736183
Molecular FormulaC16H34
Molecular Weight226.45 g/mol
Exact Mass226.27
IUPAC Name6,6,8-trimethyltridecane
SMILESCCCCCC(C)CC(C)(C)CCCCC
InChIInChI=1S/C16H34/c1-6-8-10-12-15(3)14-16(4,5)13-11-9-7-2/h15H,6-14H2,1-5H3
InChIKeyOTLZZIQVXWOEFA-UHFFFAOYSA-N
XLogP6.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.45
LogP ≤ 56.20
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
CID 161309819
4,6,6-trimethyldodecane
CID 123621829
4,4,6,12-tetramethyloctadecane
CID 123154666
3,3,5-trimethylnonane
CID 53424862
2,2,4-trimethyltetradecane
CID 19913540
2,2,4-trimethylundecane
CID 57127021
3,7,7-trimethyltridecane
CID 123996242
5,5-dimethylnonane;5-methylnonane
CID 158755954
hexane;2,2,4-trimethyloctane
CID 174278610
4,4-dimethyldecan-2-ol
CID 19931322
4,4-dimethyldodecan-2-amine
CID 64715723
4,4,7-trimethyldodecane
CID 91411996

Frequently Asked Questions

What is the IUPAC name of 6,6,8-trimethyltridecane?
The IUPAC name of 6,6,8-trimethyltridecane (CID 123736183) is 6,6,8-trimethyltridecane.
What is the SMILES notation for 6,6,8-trimethyltridecane?
The canonical SMILES for 6,6,8-trimethyltridecane is CCCCCC(C)CC(C)(C)CCCCC.
What is the InChIKey of 6,6,8-trimethyltridecane?
The InChIKey is OTLZZIQVXWOEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34/c1-6-8-10-12-15(3)14-16(4,5)13-11-9-7-2/h15H,6-14H2,1-5H3.
What are the key properties of 6,6,8-trimethyltridecane?
6,6,8-trimethyltridecane has a molecular weight of 226.45 g/mol, XLogP of 6.20, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,8-trimethyltridecane is sourced from PubChem (CID 123736183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).