tetradecylbenzene

C20H34 — CID 15086

IUPACtetradecylbenzene
SMILESCCCCCCCCCCCCCCc1ccccc1
InChIInChI=1S/C20H34/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19-20/h13,15-16,18-19H,2-12,14,17H2,1H3
InChIKeyJZALLXAUNPOCEU-UHFFFAOYSA-N
MW274.49 g/mol
LogP6.93
Rot. Bonds13

About tetradecylbenzene

tetradecylbenzene (PubChem CID 15086) has the molecular formula C20H34 and a molecular weight of 274.49 g/mol. Its IUPAC name is tetradecylbenzene.

Molecular Properties

Compound Nametetradecylbenzene
PubChem CID15086
Molecular FormulaC20H34
Molecular Weight274.49 g/mol
Exact Mass274.27
IUPAC Nametetradecylbenzene
SMILESCCCCCCCCCCCCCCc1ccccc1
InChIInChI=1S/C20H34/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19-20/h13,15-16,18-19H,2-12,14,17H2,1H3
InChIKeyJZALLXAUNPOCEU-UHFFFAOYSA-N
XLogP6.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.49
LogP ≤ 56.93
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

Biphenyl
CID 7095
Toluene
CID 1140
O-Xylene
CID 7237
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
Styrene
CID 7501
M-Xylene
CID 7929
P-Xylene
CID 7809
P-Cymene
CID 7463
Cumene
CID 7406
Butylbenzene
CID 7705
1-Ethenyl-4-methylbenzene
CID 12161

Frequently Asked Questions

What is the IUPAC name of tetradecylbenzene?
The IUPAC name of tetradecylbenzene (CID 15086) is tetradecylbenzene.
What is the SMILES notation for tetradecylbenzene?
The canonical SMILES for tetradecylbenzene is CCCCCCCCCCCCCCc1ccccc1.
What is the InChIKey of tetradecylbenzene?
The InChIKey is JZALLXAUNPOCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19-20/h13,15-16,18-19H,2-12,14,17H2,1H3.
What are the key properties of tetradecylbenzene?
tetradecylbenzene has a molecular weight of 274.49 g/mol, XLogP of 6.93, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecylbenzene is sourced from PubChem (CID 15086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).