2,4-dimethyltetradecane

C16H34 — CID 53423723

IUPAC2,4-dimethyltetradecane
SMILESCCCCCCCCCCC(C)CC(C)C
InChIInChI=1S/C16H34/c1-5-6-7-8-9-10-11-12-13-16(4)14-15(2)3/h15-16H,5-14H2,1-4H3
InChIKeyNWTLFDYNCLTSAR-UHFFFAOYSA-N
MW226.45 g/mol
LogP6.20
Rot. Bonds11

About 2,4-dimethyltetradecane

2,4-dimethyltetradecane (PubChem CID 53423723) has the molecular formula C16H34 and a molecular weight of 226.45 g/mol. Its IUPAC name is 2,4-dimethyltetradecane.

Molecular Properties

Compound Name2,4-dimethyltetradecane
PubChem CID53423723
Molecular FormulaC16H34
Molecular Weight226.45 g/mol
Exact Mass226.27
IUPAC Name2,4-dimethyltetradecane
SMILESCCCCCCCCCCC(C)CC(C)C
InChIInChI=1S/C16H34/c1-5-6-7-8-9-10-11-12-13-16(4)14-15(2)3/h15-16H,5-14H2,1-4H3
InChIKeyNWTLFDYNCLTSAR-UHFFFAOYSA-N
XLogP6.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
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

(4S)-2,4-dimethylicosane
CID 134952934
2,4,8-trimethyloctacosane
CID 91751081
(4S,6S,8S)-2,4,6,8-tetramethyltetracosane
CID 141213214
6,8-dimethylhexadecane
CID 91185725
2,24,26-trimethyldotetracontane
CID 91249721
(4R,6S)-4,6-dimethyldodecane
CID 162976966
2,4-dimethyloctane;ethene
CID 156719555
15,19,21-trimethylheptatriacontane
CID 20837834
5,15,17-trimethylpentatriacontane
CID 172565406
9-methyldocosane
CID 22223822
10,20-dimethyltriacontane
CID 91752048
13-methyldotriacontane
CID 6430396

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyltetradecane?
The IUPAC name of 2,4-dimethyltetradecane (CID 53423723) is 2,4-dimethyltetradecane.
What is the SMILES notation for 2,4-dimethyltetradecane?
The canonical SMILES for 2,4-dimethyltetradecane is CCCCCCCCCCC(C)CC(C)C.
What is the InChIKey of 2,4-dimethyltetradecane?
The InChIKey is NWTLFDYNCLTSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34/c1-5-6-7-8-9-10-11-12-13-16(4)14-15(2)3/h15-16H,5-14H2,1-4H3.
What are the key properties of 2,4-dimethyltetradecane?
2,4-dimethyltetradecane has a molecular weight of 226.45 g/mol, XLogP of 6.20, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyltetradecane is sourced from PubChem (CID 53423723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).