5,5,6,6-tetramethyltridecane

C17H36 — CID 173349107

IUPAC5,5,6,6-tetramethyltridecane
SMILESCCCCCCCC(C)(C)C(C)(C)CCCC
InChIInChI=1S/C17H36/c1-7-9-11-12-13-15-17(5,6)16(3,4)14-10-8-2/h7-15H2,1-6H3
InChIKeyAHRLSWANXVWPIL-UHFFFAOYSA-N
MW240.47 g/mol
LogP6.59
Rot. Bonds10

About 5,5,6,6-tetramethyltridecane

5,5,6,6-tetramethyltridecane (PubChem CID 173349107) has the molecular formula C17H36 and a molecular weight of 240.47 g/mol. Its IUPAC name is 5,5,6,6-tetramethyltridecane.

Molecular Properties

Compound Name5,5,6,6-tetramethyltridecane
PubChem CID173349107
Molecular FormulaC17H36
Molecular Weight240.47 g/mol
Exact Mass240.28
IUPAC Name5,5,6,6-tetramethyltridecane
SMILESCCCCCCCC(C)(C)C(C)(C)CCCC
InChIInChI=1S/C17H36/c1-7-9-11-12-13-15-17(5,6)16(3,4)14-10-8-2/h7-15H2,1-6H3
InChIKeyAHRLSWANXVWPIL-UHFFFAOYSA-N
XLogP6.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.47
LogP ≤ 56.59
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

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2,3,3-trimethylnonan-2-ol
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11-methyl-11-nonylhenicosane
CID 19690388
10,10-dibutylicosane
CID 151498539
13-methyl-13-octylhentriacontane
CID 173152457
16,16,21,21-tetramethylhexatriacontane
CID 174880889
5-ethyl-5-methylundecane
CID 57491570
4-ethyl-4,5,5-trimethylnonane
CID 57492041
3,3-dimethyloctane-2,2-diol
CID 175169414
1,1,1-trifluoro-2,2-dimethylheptane
CID 139399706
5-ethyl-5-methylhenicosane
CID 86034991

Frequently Asked Questions

What is the IUPAC name of 5,5,6,6-tetramethyltridecane?
The IUPAC name of 5,5,6,6-tetramethyltridecane (CID 173349107) is 5,5,6,6-tetramethyltridecane.
What is the SMILES notation for 5,5,6,6-tetramethyltridecane?
The canonical SMILES for 5,5,6,6-tetramethyltridecane is CCCCCCCC(C)(C)C(C)(C)CCCC.
What is the InChIKey of 5,5,6,6-tetramethyltridecane?
The InChIKey is AHRLSWANXVWPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36/c1-7-9-11-12-13-15-17(5,6)16(3,4)14-10-8-2/h7-15H2,1-6H3.
What are the key properties of 5,5,6,6-tetramethyltridecane?
5,5,6,6-tetramethyltridecane has a molecular weight of 240.47 g/mol, XLogP of 6.59, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,6-tetramethyltridecane is sourced from PubChem (CID 173349107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).