1,3,5-tris(cyclohexylmethyl)benzene

C27H42 — CID 157164571

IUPAC1,3,5-tris(cyclohexylmethyl)benzene
SMILESc1c(CC2CCCCC2)cc(CC2CCCCC2)cc1CC1CCCCC1
InChIInChI=1S/C27H42/c1-4-10-22(11-5-1)16-25-19-26(17-23-12-6-2-7-13-23)21-27(20-25)18-24-14-8-3-9-15-24/h19-24H,1-18H2
InChIKeyDSBJSWIFXNGMFI-UHFFFAOYSA-N
MW366.63 g/mol
LogP8.06
Rot. Bonds6

About 1,3,5-tris(cyclohexylmethyl)benzene

1,3,5-tris(cyclohexylmethyl)benzene (PubChem CID 157164571) has the molecular formula C27H42 and a molecular weight of 366.63 g/mol. Its IUPAC name is 1,3,5-tris(cyclohexylmethyl)benzene.

Molecular Properties

Compound Name1,3,5-tris(cyclohexylmethyl)benzene
PubChem CID157164571
Molecular FormulaC27H42
Molecular Weight366.63 g/mol
Exact Mass366.33
IUPAC Name1,3,5-tris(cyclohexylmethyl)benzene
SMILESc1c(CC2CCCCC2)cc(CC2CCCCC2)cc1CC1CCCCC1
InChIInChI=1S/C27H42/c1-4-10-22(11-5-1)16-25-19-26(17-23-12-6-2-7-13-23)21-27(20-25)18-24-14-8-3-9-15-24/h19-24H,1-18H2
InChIKeyDSBJSWIFXNGMFI-UHFFFAOYSA-N
XLogP8.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.63
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

M-Terphenyl
CID 7076
Cyclohexylbenzene
CID 13229
Triphenylethylene
CID 6025
1,3,5-Triisopropylbenzene
CID 12860
Benzene, 1,1',1'',1'''-(1,3-butadiene-1,4-diylidene)tetrakis-
CID 74060
Triphenylmethane
CID 10614
Benzene, 1-ethyl-3,5-bis(1-methylethyl)-
CID 84820
1,4-Diphenylbutane
CID 66182
Quaterphenyl
CID 14422
Tetraphenylethylene
CID 69437
1,3,5-Triphenylbenzene
CID 11930
5-Isopropyl-m-xylene
CID 20833

Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris(cyclohexylmethyl)benzene?
The IUPAC name of 1,3,5-tris(cyclohexylmethyl)benzene (CID 157164571) is 1,3,5-tris(cyclohexylmethyl)benzene.
What is the SMILES notation for 1,3,5-tris(cyclohexylmethyl)benzene?
The canonical SMILES for 1,3,5-tris(cyclohexylmethyl)benzene is c1c(CC2CCCCC2)cc(CC2CCCCC2)cc1CC1CCCCC1.
What is the InChIKey of 1,3,5-tris(cyclohexylmethyl)benzene?
The InChIKey is DSBJSWIFXNGMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42/c1-4-10-22(11-5-1)16-25-19-26(17-23-12-6-2-7-13-23)21-27(20-25)18-24-14-8-3-9-15-24/h19-24H,1-18H2.
What are the key properties of 1,3,5-tris(cyclohexylmethyl)benzene?
1,3,5-tris(cyclohexylmethyl)benzene has a molecular weight of 366.63 g/mol, XLogP of 8.06, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris(cyclohexylmethyl)benzene is sourced from PubChem (CID 157164571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).