1-(4-cyclohexylcyclohexyl)-4-propylbenzene

C21H32 — CID 57093507

IUPAC1-(4-cyclohexylcyclohexyl)-4-propylbenzene
SMILESCCCc1ccc(C2CCC(C3CCCCC3)CC2)cc1
InChIInChI=1S/C21H32/c1-2-6-17-9-11-19(12-10-17)21-15-13-20(14-16-21)18-7-4-3-5-8-18/h9-12,18,20-21H,2-8,13-16H2,1H3
InChIKeyYOMWSGSQXSAYSW-UHFFFAOYSA-N
MW284.49 g/mol
LogP6.49
Rot. Bonds4

About 1-(4-cyclohexylcyclohexyl)-4-propylbenzene

1-(4-cyclohexylcyclohexyl)-4-propylbenzene (PubChem CID 57093507) has the molecular formula C21H32 and a molecular weight of 284.49 g/mol. Its IUPAC name is 1-(4-cyclohexylcyclohexyl)-4-propylbenzene.

Molecular Properties

Compound Name1-(4-cyclohexylcyclohexyl)-4-propylbenzene
PubChem CID57093507
Molecular FormulaC21H32
Molecular Weight284.49 g/mol
Exact Mass284.25
IUPAC Name1-(4-cyclohexylcyclohexyl)-4-propylbenzene
SMILESCCCc1ccc(C2CCC(C3CCCCC3)CC2)cc1
InChIInChI=1S/C21H32/c1-2-6-17-9-11-19(12-10-17)21-15-13-20(14-16-21)18-7-4-3-5-8-18/h9-12,18,20-21H,2-8,13-16H2,1H3
InChIKeyYOMWSGSQXSAYSW-UHFFFAOYSA-N
XLogP6.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.49
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2R,4aR,8aR)-2-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 56620245
1-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene
CID 140788276
1-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]-4-propylbenzene
CID 18656236
1,2-difluoro-4-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]benzene
CID 19892612
2,5-bis[4-(4-propylphenyl)cyclohexyl]furan
CID 141384048
2-(4-methylcyclohexyl)-6-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837511
1-[4-[4-(2-fluoroethenyl)cyclohexyl]cyclohexyl]-4-propylbenzene
CID 67859284
4-(4-propylphenyl)cyclohexane-1-carbaldehyde
CID 86668457
1-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]-4-pentylbenzene
CID 59931186
1-[4-[4-(3-fluoroprop-2-enyl)cyclohexyl]cyclohexyl]-4-propylbenzene
CID 57115523
1-[4-(4-buta-1,3-dienylcyclohexyl)cyclohexyl]-4-propylbenzene
CID 173325591
(E)-3-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]prop-2-enenitrile
CID 19612816

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylcyclohexyl)-4-propylbenzene?
The IUPAC name of 1-(4-cyclohexylcyclohexyl)-4-propylbenzene (CID 57093507) is 1-(4-cyclohexylcyclohexyl)-4-propylbenzene.
What is the SMILES notation for 1-(4-cyclohexylcyclohexyl)-4-propylbenzene?
The canonical SMILES for 1-(4-cyclohexylcyclohexyl)-4-propylbenzene is CCCc1ccc(C2CCC(C3CCCCC3)CC2)cc1.
What is the InChIKey of 1-(4-cyclohexylcyclohexyl)-4-propylbenzene?
The InChIKey is YOMWSGSQXSAYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32/c1-2-6-17-9-11-19(12-10-17)21-15-13-20(14-16-21)18-7-4-3-5-8-18/h9-12,18,20-21H,2-8,13-16H2,1H3.
What are the key properties of 1-(4-cyclohexylcyclohexyl)-4-propylbenzene?
1-(4-cyclohexylcyclohexyl)-4-propylbenzene has a molecular weight of 284.49 g/mol, XLogP of 6.49, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylcyclohexyl)-4-propylbenzene is sourced from PubChem (CID 57093507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).