tetradecan-2-ylbenzene

C20H34 — CID 20642

IUPACtetradecan-2-ylbenzene
SMILESCCCCCCCCCCCCC(C)c1ccccc1
InChIInChI=1S/C20H34/c1-3-4-5-6-7-8-9-10-11-13-16-19(2)20-17-14-12-15-18-20/h12,14-15,17-19H,3-11,13,16H2,1-2H3
InChIKeyGDFUGKICRHMMOT-UHFFFAOYSA-N
MW274.49 g/mol
LogP7.10
Rot. Bonds12

About tetradecan-2-ylbenzene

tetradecan-2-ylbenzene (PubChem CID 20642) has the molecular formula C20H34 and a molecular weight of 274.49 g/mol. Its IUPAC name is tetradecan-2-ylbenzene.

Molecular Properties

Compound Nametetradecan-2-ylbenzene
PubChem CID20642
Molecular FormulaC20H34
Molecular Weight274.49 g/mol
Exact Mass274.27
IUPAC Nametetradecan-2-ylbenzene
SMILESCCCCCCCCCCCCC(C)c1ccccc1
InChIInChI=1S/C20H34/c1-3-4-5-6-7-8-9-10-11-13-16-19(2)20-17-14-12-15-18-20/h12,14-15,17-19H,3-11,13,16H2,1-2H3
InChIKeyGDFUGKICRHMMOT-UHFFFAOYSA-N
XLogP7.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.49
LogP ≤ 57.10
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 tetradecan-2-ylbenzene?
The IUPAC name of tetradecan-2-ylbenzene (CID 20642) is tetradecan-2-ylbenzene.
What is the SMILES notation for tetradecan-2-ylbenzene?
The canonical SMILES for tetradecan-2-ylbenzene is CCCCCCCCCCCCC(C)c1ccccc1.
What is the InChIKey of tetradecan-2-ylbenzene?
The InChIKey is GDFUGKICRHMMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34/c1-3-4-5-6-7-8-9-10-11-13-16-19(2)20-17-14-12-15-18-20/h12,14-15,17-19H,3-11,13,16H2,1-2H3.
What are the key properties of tetradecan-2-ylbenzene?
tetradecan-2-ylbenzene has a molecular weight of 274.49 g/mol, XLogP of 7.10, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecan-2-ylbenzene is sourced from PubChem (CID 20642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).