1,3,5-tricyclopentylbenzene

C21H30 — CID 611596

IUPAC1,3,5-tricyclopentylbenzene
SMILESc1c(C2CCCC2)cc(C2CCCC2)cc1C1CCCC1
InChIInChI=1S/C21H30/c1-2-8-16(7-1)19-13-20(17-9-3-4-10-17)15-21(14-19)18-11-5-6-12-18/h13-18H,1-12H2
InChIKeyXSXIUUSYQVVDJB-UHFFFAOYSA-N
MW282.47 g/mol
LogP6.66
Rot. Bonds3

About 1,3,5-tricyclopentylbenzene

1,3,5-tricyclopentylbenzene (PubChem CID 611596) has the molecular formula C21H30 and a molecular weight of 282.47 g/mol. Its IUPAC name is 1,3,5-tricyclopentylbenzene.

Molecular Properties

Compound Name1,3,5-tricyclopentylbenzene
PubChem CID611596
Molecular FormulaC21H30
Molecular Weight282.47 g/mol
Exact Mass282.23
IUPAC Name1,3,5-tricyclopentylbenzene
SMILESc1c(C2CCCC2)cc(C2CCCC2)cc1C1CCCC1
InChIInChI=1S/C21H30/c1-2-8-16(7-1)19-13-20(17-9-3-4-10-17)15-21(14-19)18-11-5-6-12-18/h13-18H,1-12H2
InChIKeyXSXIUUSYQVVDJB-UHFFFAOYSA-N
XLogP6.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3,5-tricyclopropylbenzene
CID 13056331
CID 91016004
CID 91016004
2,6-dicyclopentylnaphthalene
CID 91354429
4-cyclooctyl-2,6-difluorophenol
CID 151133055
4-cyclohexyl-2,6-difluoroaniline
CID 125450024
2,6-diamino-4-cyclohexylphenol
CID 12501819
1,3-dicyclohexylbenzene;hydrogen peroxide
CID 88772360
1-cyclohexyl-3-[(3-cyclohexyl-5-methylphenyl)methyl]-5-methylbenzene
CID 19990202
chloro-bis(2,4,6-tricyclohexylphenyl)phosphane
CID 102375057
ethane;hydrogen peroxide;2,4,6-tricyclohexylphenol
CID 145222874
1,3,5-tricyclohexyl-2-methoxybenzene
CID 123898644
cyclopentylbenzene;iron
CID 158512704

Frequently Asked Questions

What is the IUPAC name of 1,3,5-tricyclopentylbenzene?
The IUPAC name of 1,3,5-tricyclopentylbenzene (CID 611596) is 1,3,5-tricyclopentylbenzene.
What is the SMILES notation for 1,3,5-tricyclopentylbenzene?
The canonical SMILES for 1,3,5-tricyclopentylbenzene is c1c(C2CCCC2)cc(C2CCCC2)cc1C1CCCC1.
What is the InChIKey of 1,3,5-tricyclopentylbenzene?
The InChIKey is XSXIUUSYQVVDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30/c1-2-8-16(7-1)19-13-20(17-9-3-4-10-17)15-21(14-19)18-11-5-6-12-18/h13-18H,1-12H2.
What are the key properties of 1,3,5-tricyclopentylbenzene?
1,3,5-tricyclopentylbenzene has a molecular weight of 282.47 g/mol, XLogP of 6.66, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tricyclopentylbenzene is sourced from PubChem (CID 611596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).