1,3-didecyl-2-ethenylbenzene

C28H48 — CID 10572118

IUPAC1,3-didecyl-2-ethenylbenzene
SMILESC=Cc1c(CCCCCCCCCC)cccc1CCCCCCCCCC
InChIInChI=1S/C28H48/c1-4-7-9-11-13-15-17-19-22-26-24-21-25-27(28(26)6-3)23-20-18-16-14-12-10-8-5-2/h6,21,24-25H,3-5,7-20,22-23H2,1-2H3
InChIKeyPOOLEGPXKUEJDI-UHFFFAOYSA-N
MW384.69 g/mol
LogP9.70
Rot. Bonds19

About 1,3-didecyl-2-ethenylbenzene

1,3-didecyl-2-ethenylbenzene (PubChem CID 10572118) has the molecular formula C28H48 and a molecular weight of 384.69 g/mol. Its IUPAC name is 1,3-didecyl-2-ethenylbenzene.

Molecular Properties

Compound Name1,3-didecyl-2-ethenylbenzene
PubChem CID10572118
Molecular FormulaC28H48
Molecular Weight384.69 g/mol
Exact Mass384.38
IUPAC Name1,3-didecyl-2-ethenylbenzene
SMILESC=Cc1c(CCCCCCCCCC)cccc1CCCCCCCCCC
InChIInChI=1S/C28H48/c1-4-7-9-11-13-15-17-19-22-26-24-21-25-27(28(26)6-3)23-20-18-16-14-12-10-8-5-2/h6,21,24-25H,3-5,7-20,22-23H2,1-2H3
InChIKeyPOOLEGPXKUEJDI-UHFFFAOYSA-N
XLogP9.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.69
LogP ≤ 59.70
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

1,2-bis(ethenyl)-3-octadecylbenzene
CID 18628258
1-butyl-2-ethenyl-3-methylbenzene
CID 154145018
3-butyl-2-ethenylphenol
CID 23312031
1-ethenyl-2-pentylbenzene
CID 22171756
1,3,5-tris-decyl-2-ethenylbenzene
CID 152557926
1,2-di(undecyl)benzene
CID 3019479
1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1,2,3-tri(icosyl)benzene
CID 90987509
1-dodecyl-2-octyl-3-tridecylbenzene
CID 175505104

Frequently Asked Questions

What is the IUPAC name of 1,3-didecyl-2-ethenylbenzene?
The IUPAC name of 1,3-didecyl-2-ethenylbenzene (CID 10572118) is 1,3-didecyl-2-ethenylbenzene.
What is the SMILES notation for 1,3-didecyl-2-ethenylbenzene?
The canonical SMILES for 1,3-didecyl-2-ethenylbenzene is C=Cc1c(CCCCCCCCCC)cccc1CCCCCCCCCC.
What is the InChIKey of 1,3-didecyl-2-ethenylbenzene?
The InChIKey is POOLEGPXKUEJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H48/c1-4-7-9-11-13-15-17-19-22-26-24-21-25-27(28(26)6-3)23-20-18-16-14-12-10-8-5-2/h6,21,24-25H,3-5,7-20,22-23H2,1-2H3.
What are the key properties of 1,3-didecyl-2-ethenylbenzene?
1,3-didecyl-2-ethenylbenzene has a molecular weight of 384.69 g/mol, XLogP of 9.70, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-didecyl-2-ethenylbenzene is sourced from PubChem (CID 10572118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).