1,3,5-tributylbenzene

C18H30 — CID 522808

IUPAC1,3,5-tributylbenzene
SMILESCCCCc1cc(CCCC)cc(CCCC)c1
InChIInChI=1S/C18H30/c1-4-7-10-16-13-17(11-8-5-2)15-18(14-16)12-9-6-3/h13-15H,4-12H2,1-3H3
InChIKeyAVYPEYYPGYMFDO-UHFFFAOYSA-N
MW246.44 g/mol
LogP5.71
Rot. Bonds9

About 1,3,5-tributylbenzene

1,3,5-tributylbenzene (PubChem CID 522808) has the molecular formula C18H30 and a molecular weight of 246.44 g/mol. Its IUPAC name is 1,3,5-tributylbenzene.

Molecular Properties

Compound Name1,3,5-tributylbenzene
PubChem CID522808
Molecular FormulaC18H30
Molecular Weight246.44 g/mol
Exact Mass246.23
IUPAC Name1,3,5-tributylbenzene
SMILESCCCCc1cc(CCCC)cc(CCCC)c1
InChIInChI=1S/C18H30/c1-4-7-10-16-13-17(11-8-5-2)15-18(14-16)12-9-6-3/h13-15H,4-12H2,1-3H3
InChIKeyAVYPEYYPGYMFDO-UHFFFAOYSA-N
XLogP5.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.44
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-tributylbenzene?
The IUPAC name of 1,3,5-tributylbenzene (CID 522808) is 1,3,5-tributylbenzene.
What is the SMILES notation for 1,3,5-tributylbenzene?
The canonical SMILES for 1,3,5-tributylbenzene is CCCCc1cc(CCCC)cc(CCCC)c1.
What is the InChIKey of 1,3,5-tributylbenzene?
The InChIKey is AVYPEYYPGYMFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30/c1-4-7-10-16-13-17(11-8-5-2)15-18(14-16)12-9-6-3/h13-15H,4-12H2,1-3H3.
What are the key properties of 1,3,5-tributylbenzene?
1,3,5-tributylbenzene has a molecular weight of 246.44 g/mol, XLogP of 5.71, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tributylbenzene is sourced from PubChem (CID 522808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).