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

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Related Compounds

1,3,5-tricyclopentylbenzene
CID 611596
1,3-difluoro-5-(4-methylcyclohexyl)benzene
CID 18720773
1-chloro-3-cyclopropyl-5-methylbenzene
CID 90222242
nonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),22,24,26,28,30,33,35,37-octadecaene
CID 135033819
benzene;cyclopropylbenzene
CID 144638417
4-cyclopropyl-2,6-difluorobenzaldehyde
CID 163302596
4-cyclopropyl-2,6-difluoro-N-methylaniline
CID 177162139
2,6-dichloro-4-cyclopropylbenzonitrile
CID 167443793
1-chloro-5-cyclopropyl-2,3-dimethylbenzene
CID 59813088
(4-cyclopropyl-2,6-dimethylphenoxy)-dimethylsilane
CID 174561294
4-(3,5-difluoro-4-methylphenyl)cyclohexan-1-ol
CID 70950795
1,3-difluoro-5-(4-methoxycyclohexyl)benzene
CID 174716619

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).