2,2,4-trimethyltetradecane

C17H36 — CID 19913540

IUPAC2,2,4-trimethyltetradecane
SMILESCCCCCCCCCCC(C)CC(C)(C)C
InChIInChI=1S/C17H36/c1-6-7-8-9-10-11-12-13-14-16(2)15-17(3,4)5/h16H,6-15H2,1-5H3
InChIKeyQDISRPBJYVOCDL-UHFFFAOYSA-N
MW240.47 g/mol
LogP6.59
Rot. Bonds10

About 2,2,4-trimethyltetradecane

2,2,4-trimethyltetradecane (PubChem CID 19913540) has the molecular formula C17H36 and a molecular weight of 240.47 g/mol. Its IUPAC name is 2,2,4-trimethyltetradecane.

Molecular Properties

Compound Name2,2,4-trimethyltetradecane
PubChem CID19913540
Molecular FormulaC17H36
Molecular Weight240.47 g/mol
Exact Mass240.28
IUPAC Name2,2,4-trimethyltetradecane
SMILESCCCCCCCCCCC(C)CC(C)(C)C
InChIInChI=1S/C17H36/c1-6-7-8-9-10-11-12-13-14-16(2)15-17(3,4)5/h16H,6-15H2,1-5H3
InChIKeyQDISRPBJYVOCDL-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

2,2,4-trimethylundecane
CID 57127021
hexane;2,2,4-trimethyloctane
CID 174278610
2,2,4-trimethyl-7-(2,2,4-trimethylhexadecan-7-ylperoxy)hexadecane
CID 151128370
2,2,4,8,10,10-hexamethylundecane
CID 54023173
1-(3,5,5-trimethylhexoxy)undecane
CID 86724837
1-hexylsulfanyl-3,5,5-trimethylhexane
CID 19076993
2,2,4,4,6,8,8-heptamethylnonane;hexadecane
CID 162121886
2,2,5-trimethyldodecane
CID 54169953
9-methyldocosane
CID 22223822
10,20-dimethyltriacontane
CID 91752048
13-methyldotriacontane
CID 6430396
27-methyltripentacontane
CID 91450521

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyltetradecane?
The IUPAC name of 2,2,4-trimethyltetradecane (CID 19913540) is 2,2,4-trimethyltetradecane.
What is the SMILES notation for 2,2,4-trimethyltetradecane?
The canonical SMILES for 2,2,4-trimethyltetradecane is CCCCCCCCCCC(C)CC(C)(C)C.
What is the InChIKey of 2,2,4-trimethyltetradecane?
The InChIKey is QDISRPBJYVOCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36/c1-6-7-8-9-10-11-12-13-14-16(2)15-17(3,4)5/h16H,6-15H2,1-5H3.
What are the key properties of 2,2,4-trimethyltetradecane?
2,2,4-trimethyltetradecane 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 2,2,4-trimethyltetradecane is sourced from PubChem (CID 19913540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).