1,3,5-tris-decyl-2-ethenylbenzene

C38H68 — CID 152557926

IUPAC1,3,5-tris-decyl-2-ethenylbenzene
SMILESC=Cc1c(CCCCCCCCCC)cc(CCCCCCCCCC)cc1CCCCCCCCCC
InChIInChI=1S/C38H68/c1-5-9-12-15-18-21-24-27-30-35-33-36(31-28-25-22-19-16-13-10-6-2)38(8-4)37(34-35)32-29-26-23-20-17-14-11-7-3/h8,33-34H,4-7,9-32H2,1-3H3
InChIKeyYOWNSWBBMXCVIS-UHFFFAOYSA-N
MW524.96 g/mol
LogP13.38
Rot. Bonds28

About 1,3,5-tris-decyl-2-ethenylbenzene

1,3,5-tris-decyl-2-ethenylbenzene (PubChem CID 152557926) has the molecular formula C38H68 and a molecular weight of 524.96 g/mol. Its IUPAC name is 1,3,5-tris-decyl-2-ethenylbenzene.

Molecular Properties

Compound Name1,3,5-tris-decyl-2-ethenylbenzene
PubChem CID152557926
Molecular FormulaC38H68
Molecular Weight524.96 g/mol
Exact Mass524.53
IUPAC Name1,3,5-tris-decyl-2-ethenylbenzene
SMILESC=Cc1c(CCCCCCCCCC)cc(CCCCCCCCCC)cc1CCCCCCCCCC
InChIInChI=1S/C38H68/c1-5-9-12-15-18-21-24-27-30-35-33-36(31-28-25-22-19-16-13-10-6-2)38(8-4)37(34-35)32-29-26-23-20-17-14-11-7-3/h8,33-34H,4-7,9-32H2,1-3H3
InChIKeyYOWNSWBBMXCVIS-UHFFFAOYSA-N
XLogP13.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds28
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.96
LogP ≤ 513.38
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

1,3-didecyl-2-ethenylbenzene
CID 10572118
(2-ethenyl-4,6-dihexylphenyl)-trimethylsilane
CID 11325397
5-butyl-1,2,3-tridodecylbenzene
CID 91450595
2,4,6-triheptylphenol
CID 139692303
4-butyl-2,6-didodecylphenol
CID 66619638
1-butyl-3,5-di(tetradecyl)benzene
CID 91192270
2-ethyl-4-heptyl-6-pentylphenol
CID 66879967
2,6-dihexyl-4-prop-2-enylphenol
CID 19799403
1-ethenyl-4-nonylbenzene;1-ethenyl-4-octylbenzene
CID 22646096
1-ethenyl-4-hexylbenzene
CID 21225742
1,3-didecyl-5-(3,5-didecylphenyl)benzene
CID 150677432
1-ethyl-3,5-di(tetradecyl)benzene
CID 91801932

Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris-decyl-2-ethenylbenzene?
The IUPAC name of 1,3,5-tris-decyl-2-ethenylbenzene (CID 152557926) is 1,3,5-tris-decyl-2-ethenylbenzene.
What is the SMILES notation for 1,3,5-tris-decyl-2-ethenylbenzene?
The canonical SMILES for 1,3,5-tris-decyl-2-ethenylbenzene is C=Cc1c(CCCCCCCCCC)cc(CCCCCCCCCC)cc1CCCCCCCCCC.
What is the InChIKey of 1,3,5-tris-decyl-2-ethenylbenzene?
The InChIKey is YOWNSWBBMXCVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H68/c1-5-9-12-15-18-21-24-27-30-35-33-36(31-28-25-22-19-16-13-10-6-2)38(8-4)37(34-35)32-29-26-23-20-17-14-11-7-3/h8,33-34H,4-7,9-32H2,1-3H3.
What are the key properties of 1,3,5-tris-decyl-2-ethenylbenzene?
1,3,5-tris-decyl-2-ethenylbenzene has a molecular weight of 524.96 g/mol, XLogP of 13.38, 28 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris-decyl-2-ethenylbenzene is sourced from PubChem (CID 152557926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).