1,2,3-trimethyl-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene

C24H38 — CID 20683489

IUPAC1,2,3-trimethyl-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
SMILESCCCC1CCC(C2CCC(c3cc(C)c(C)c(C)c3)CC2)CC1
InChIInChI=1S/C24H38/c1-5-6-20-7-9-21(10-8-20)22-11-13-23(14-12-22)24-15-17(2)19(4)18(3)16-24/h15-16,20-23H,5-14H2,1-4H3
InChIKeyCOSYFTGOMQWCFV-UHFFFAOYSA-N
MW326.57 g/mol
LogP7.49
Rot. Bonds4

About 1,2,3-trimethyl-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene

1,2,3-trimethyl-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene (PubChem CID 20683489) has the molecular formula C24H38 and a molecular weight of 326.57 g/mol. Its IUPAC name is 1,2,3-trimethyl-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene.

Molecular Properties

Compound Name1,2,3-trimethyl-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
PubChem CID20683489
Molecular FormulaC24H38
Molecular Weight326.57 g/mol
Exact Mass326.30
IUPAC Name1,2,3-trimethyl-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
SMILESCCCC1CCC(C2CCC(c3cc(C)c(C)c(C)c3)CC2)CC1
InChIInChI=1S/C24H38/c1-5-6-20-7-9-21(10-8-20)22-11-13-23(14-12-22)24-15-17(2)19(4)18(3)16-24/h15-16,20-23H,5-14H2,1-4H3
InChIKeyCOSYFTGOMQWCFV-UHFFFAOYSA-N
XLogP7.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.57
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The IUPAC name of 1,2,3-trimethyl-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene (CID 20683489) is 1,2,3-trimethyl-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene.
What is the SMILES notation for 1,2,3-trimethyl-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The canonical SMILES for 1,2,3-trimethyl-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene is CCCC1CCC(C2CCC(c3cc(C)c(C)c(C)c3)CC2)CC1.
What is the InChIKey of 1,2,3-trimethyl-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The InChIKey is COSYFTGOMQWCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38/c1-5-6-20-7-9-21(10-8-20)22-11-13-23(14-12-22)24-15-17(2)19(4)18(3)16-24/h15-16,20-23H,5-14H2,1-4H3.
What are the key properties of 1,2,3-trimethyl-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
1,2,3-trimethyl-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene has a molecular weight of 326.57 g/mol, XLogP of 7.49, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene is sourced from PubChem (CID 20683489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).