1-dodecyl-4-ethenyl-2,5-diethylbenzene

C24H40 — CID 142098538

IUPAC1-dodecyl-4-ethenyl-2,5-diethylbenzene
SMILESC=Cc1cc(CC)c(CCCCCCCCCCCC)cc1CC
InChIInChI=1S/C24H40/c1-5-9-10-11-12-13-14-15-16-17-18-24-20-22(7-3)21(6-2)19-23(24)8-4/h6,19-20H,2,5,7-18H2,1,3-4H3
InChIKeyPGQMPNVDHNBOKU-UHFFFAOYSA-N
MW328.58 g/mol
LogP7.92
Rot. Bonds14

About 1-dodecyl-4-ethenyl-2,5-diethylbenzene

1-dodecyl-4-ethenyl-2,5-diethylbenzene (PubChem CID 142098538) has the molecular formula C24H40 and a molecular weight of 328.58 g/mol. Its IUPAC name is 1-dodecyl-4-ethenyl-2,5-diethylbenzene.

Molecular Properties

Compound Name1-dodecyl-4-ethenyl-2,5-diethylbenzene
PubChem CID142098538
Molecular FormulaC24H40
Molecular Weight328.58 g/mol
Exact Mass328.31
IUPAC Name1-dodecyl-4-ethenyl-2,5-diethylbenzene
SMILESC=Cc1cc(CC)c(CCCCCCCCCCCC)cc1CC
InChIInChI=1S/C24H40/c1-5-9-10-11-12-13-14-15-16-17-18-24-20-22(7-3)21(6-2)19-23(24)8-4/h6,19-20H,2,5,7-18H2,1,3-4H3
InChIKeyPGQMPNVDHNBOKU-UHFFFAOYSA-N
XLogP7.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.58
LogP ≤ 57.92
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

1-ethenyl-2-pentylbenzene
CID 22171756
1,2-bis(ethenyl)-3-octadecylbenzene
CID 18628258
1,3-didecyl-2-ethenylbenzene
CID 10572118
1-ethenyl-5-hexyl-2-methyl-4-(2,4,5-trimethylphenyl)benzene
CID 170744428
1,3,5-tris-decyl-2-ethenylbenzene
CID 152557926
N-butyl-4-[3-[3-[2-(5-ethenyl-4-ethyl-2-methylphenyl)ethyl]-2-methylphenyl]-2-methylphenyl]butan-1-amine
CID 129049562
1-ethyl-2-henicosylbenzene
CID 141174443
1,4-bis(chloromethyl)-2,5-didodecylbenzene
CID 71381372
1,4-bis(bromomethyl)-2,5-didodecylbenzene
CID 11017447
(2-ethenyl-4,6-dihexylphenyl)-trimethylsilane
CID 11325397
3-dodecyl-4-ethenylpyridine
CID 23503907
azane;2-benzyl-1-ethenyl-3,4-dimethyl-5-octadecylbenzene;hydrochloride
CID 174486040

Frequently Asked Questions

What is the IUPAC name of 1-dodecyl-4-ethenyl-2,5-diethylbenzene?
The IUPAC name of 1-dodecyl-4-ethenyl-2,5-diethylbenzene (CID 142098538) is 1-dodecyl-4-ethenyl-2,5-diethylbenzene.
What is the SMILES notation for 1-dodecyl-4-ethenyl-2,5-diethylbenzene?
The canonical SMILES for 1-dodecyl-4-ethenyl-2,5-diethylbenzene is C=Cc1cc(CC)c(CCCCCCCCCCCC)cc1CC.
What is the InChIKey of 1-dodecyl-4-ethenyl-2,5-diethylbenzene?
The InChIKey is PGQMPNVDHNBOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40/c1-5-9-10-11-12-13-14-15-16-17-18-24-20-22(7-3)21(6-2)19-23(24)8-4/h6,19-20H,2,5,7-18H2,1,3-4H3.
What are the key properties of 1-dodecyl-4-ethenyl-2,5-diethylbenzene?
1-dodecyl-4-ethenyl-2,5-diethylbenzene has a molecular weight of 328.58 g/mol, XLogP of 7.92, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-4-ethenyl-2,5-diethylbenzene is sourced from PubChem (CID 142098538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).