2-ethenyltetradecylbenzene

C22H36 — CID 173452613

IUPAC2-ethenyltetradecylbenzene
SMILESC=CC(CCCCCCCCCCCC)Cc1ccccc1
InChIInChI=1S/C22H36/c1-3-5-6-7-8-9-10-11-12-14-17-21(4-2)20-22-18-15-13-16-19-22/h4,13,15-16,18-19,21H,2-3,5-12,14,17,20H2,1H3
InChIKeyJJMTVNYKZBITJZ-UHFFFAOYSA-N
MW300.53 g/mol
LogP7.34
Rot. Bonds14

About 2-ethenyltetradecylbenzene

2-ethenyltetradecylbenzene (PubChem CID 173452613) has the molecular formula C22H36 and a molecular weight of 300.53 g/mol. Its IUPAC name is 2-ethenyltetradecylbenzene.

Molecular Properties

Compound Name2-ethenyltetradecylbenzene
PubChem CID173452613
Molecular FormulaC22H36
Molecular Weight300.53 g/mol
Exact Mass300.28
IUPAC Name2-ethenyltetradecylbenzene
SMILESC=CC(CCCCCCCCCCCC)Cc1ccccc1
InChIInChI=1S/C22H36/c1-3-5-6-7-8-9-10-11-12-14-17-21(4-2)20-22-18-15-13-16-19-22/h4,13,15-16,18-19,21H,2-3,5-12,14,17,20H2,1H3
InChIKeyJJMTVNYKZBITJZ-UHFFFAOYSA-N
XLogP7.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.53
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-benzyltetradecylbenzene
CID 22920205
10-ethenylnonadecane
CID 57244946
2-methylheptylbenzene;2-methyloctylbenzene
CID 174049605
hydrogen peroxide;2-methyldodecylbenzene
CID 159185106
2-bromotridecylbenzene
CID 65427778
ethane;9-ethenylheptadecane;octane
CID 168985515
[(2S)-2-ethenylhexoxy]methylbenzene
CID 50898080
1-phenyltridecan-2-ylbenzene
CID 22919631
1-phenylundecan-2-ylbenzene
CID 22919994
benzyl-hexadec-1-en-3-yl-dimethylazanium bromide
CID 141427408
ethane;2-methylheptylbenzene
CID 142204161
N,N-dimethyl-1-phenyltricosan-2-amine
CID 18949477

Frequently Asked Questions

What is the IUPAC name of 2-ethenyltetradecylbenzene?
The IUPAC name of 2-ethenyltetradecylbenzene (CID 173452613) is 2-ethenyltetradecylbenzene.
What is the SMILES notation for 2-ethenyltetradecylbenzene?
The canonical SMILES for 2-ethenyltetradecylbenzene is C=CC(CCCCCCCCCCCC)Cc1ccccc1.
What is the InChIKey of 2-ethenyltetradecylbenzene?
The InChIKey is JJMTVNYKZBITJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36/c1-3-5-6-7-8-9-10-11-12-14-17-21(4-2)20-22-18-15-13-16-19-22/h4,13,15-16,18-19,21H,2-3,5-12,14,17,20H2,1H3.
What are the key properties of 2-ethenyltetradecylbenzene?
2-ethenyltetradecylbenzene has a molecular weight of 300.53 g/mol, XLogP of 7.34, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyltetradecylbenzene is sourced from PubChem (CID 173452613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).