1,3,5-tri(propan-2-yl)benzene

C15H24 — CID 12860

IUPAC1,3,5-tri(propan-2-yl)benzene
SMILESCC(C)c1cc(C(C)C)cc(C(C)C)c1
InChIInChI=1S/C15H24/c1-10(2)13-7-14(11(3)4)9-15(8-13)12(5)6/h7-12H,1-6H3
InChIKeyVUMCUSHVMYIRMB-UHFFFAOYSA-N
MW204.36 g/mol
LogP5.06
Rot. Bonds3

About 1,3,5-tri(propan-2-yl)benzene

1,3,5-tri(propan-2-yl)benzene (PubChem CID 12860) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 1,3,5-tri(propan-2-yl)benzene.

Molecular Properties

Compound Name1,3,5-tri(propan-2-yl)benzene
PubChem CID12860
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name1,3,5-tri(propan-2-yl)benzene
SMILESCC(C)c1cc(C(C)C)cc(C(C)C)c1
InChIInChI=1S/C15H24/c1-10(2)13-7-14(11(3)4)9-15(8-13)12(5)6/h7-12H,1-6H3
InChIKeyVUMCUSHVMYIRMB-UHFFFAOYSA-N
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500204.36
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-tri(propan-2-yl)benzene?
The IUPAC name of 1,3,5-tri(propan-2-yl)benzene (CID 12860) is 1,3,5-tri(propan-2-yl)benzene.
What is the SMILES notation for 1,3,5-tri(propan-2-yl)benzene?
The canonical SMILES for 1,3,5-tri(propan-2-yl)benzene is CC(C)c1cc(C(C)C)cc(C(C)C)c1.
What is the InChIKey of 1,3,5-tri(propan-2-yl)benzene?
The InChIKey is VUMCUSHVMYIRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-10(2)13-7-14(11(3)4)9-15(8-13)12(5)6/h7-12H,1-6H3.
What are the key properties of 1,3,5-tri(propan-2-yl)benzene?
1,3,5-tri(propan-2-yl)benzene has a molecular weight of 204.36 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tri(propan-2-yl)benzene is sourced from PubChem (CID 12860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).