1,3,5-tricyclopropylbenzene

C15H18 — CID 13056331

IUPAC1,3,5-tricyclopropylbenzene
SMILESc1c(C2CC2)cc(C2CC2)cc1C1CC1
InChIInChI=1S/C15H18/c1-2-10(1)13-7-14(11-3-4-11)9-15(8-13)12-5-6-12/h7-12H,1-6H2
InChIKeyWCQIACWDQWOQCL-UHFFFAOYSA-N
MW198.31 g/mol
LogP4.32
Rot. Bonds3

About 1,3,5-tricyclopropylbenzene

1,3,5-tricyclopropylbenzene (PubChem CID 13056331) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1,3,5-tricyclopropylbenzene.

Molecular Properties

Compound Name1,3,5-tricyclopropylbenzene
PubChem CID13056331
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name1,3,5-tricyclopropylbenzene
SMILESc1c(C2CC2)cc(C2CC2)cc1C1CC1
InChIInChI=1S/C15H18/c1-2-10(1)13-7-14(11-3-4-11)9-15(8-13)12-5-6-12/h7-12H,1-6H2
InChIKeyWCQIACWDQWOQCL-UHFFFAOYSA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,3,5-tricyclopropylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3,5-tricyclopropylbenzene?
The IUPAC name of 1,3,5-tricyclopropylbenzene (CID 13056331) is 1,3,5-tricyclopropylbenzene.
What is the SMILES notation for 1,3,5-tricyclopropylbenzene?
The canonical SMILES for 1,3,5-tricyclopropylbenzene is c1c(C2CC2)cc(C2CC2)cc1C1CC1.
What is the InChIKey of 1,3,5-tricyclopropylbenzene?
The InChIKey is WCQIACWDQWOQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18/c1-2-10(1)13-7-14(11-3-4-11)9-15(8-13)12-5-6-12/h7-12H,1-6H2.
What are the key properties of 1,3,5-tricyclopropylbenzene?
1,3,5-tricyclopropylbenzene has a molecular weight of 198.31 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tricyclopropylbenzene is sourced from PubChem (CID 13056331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).