1-propan-2-yl-4-[4-[(4-propan-2-ylcyclohexyl)methyl]cyclohexyl]benzene

C25H40 — CID 159561903

IUPAC1-propan-2-yl-4-[4-[(4-propan-2-ylcyclohexyl)methyl]cyclohexyl]benzene
SMILESCC(C)c1ccc(C2CCC(CC3CCC(C(C)C)CC3)CC2)cc1
InChIInChI=1S/C25H40/c1-18(2)22-9-5-20(6-10-22)17-21-7-11-24(12-8-21)25-15-13-23(14-16-25)19(3)4/h13-16,18-22,24H,5-12,17H2,1-4H3
InChIKeyOXHPSSWTNZUJRH-UHFFFAOYSA-N
MW340.60 g/mol
LogP7.94
Rot. Bonds5

About 1-propan-2-yl-4-[4-[(4-propan-2-ylcyclohexyl)methyl]cyclohexyl]benzene

1-propan-2-yl-4-[4-[(4-propan-2-ylcyclohexyl)methyl]cyclohexyl]benzene (PubChem CID 159561903) has the molecular formula C25H40 and a molecular weight of 340.60 g/mol. Its IUPAC name is 1-propan-2-yl-4-[4-[(4-propan-2-ylcyclohexyl)methyl]cyclohexyl]benzene.

Molecular Properties

Compound Name1-propan-2-yl-4-[4-[(4-propan-2-ylcyclohexyl)methyl]cyclohexyl]benzene
PubChem CID159561903
Molecular FormulaC25H40
Molecular Weight340.60 g/mol
Exact Mass340.31
IUPAC Name1-propan-2-yl-4-[4-[(4-propan-2-ylcyclohexyl)methyl]cyclohexyl]benzene
SMILESCC(C)c1ccc(C2CCC(CC3CCC(C(C)C)CC3)CC2)cc1
InChIInChI=1S/C25H40/c1-18(2)22-9-5-20(6-10-22)17-21-7-11-24(12-8-21)25-15-13-23(14-16-25)19(3)4/h13-16,18-22,24H,5-12,17H2,1-4H3
InChIKeyOXHPSSWTNZUJRH-UHFFFAOYSA-N
XLogP7.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.60
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[(4-propan-2-ylcyclohexyl)methyl]-4-(4-propan-2-ylphenyl)piperidine
CID 155068602
2,4-dimethylpentane;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclohexane
CID 167589359
2-[3-(4-propan-2-ylphenyl)cyclopentyl]acetic acid
CID 82295362
4-(4-propan-2-ylcyclohexyl)pyridine
CID 140629091
1-(3-bromocyclopentyl)-4-propan-2-ylbenzene
CID 64507146
3-(4-propan-2-ylphenyl)thiolane
CID 168806701
ethane;1-ethyl-4-(4-propan-2-ylphenyl)piperidine
CID 176679187
1-(4-cyclopropylphenyl)ethanamine
CID 55211304
1-(4-butylcyclohexyl)-4-[1-[4-[1-(4-butylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene
CID 19846736
1-methyl-3-(4-propan-2-ylphenyl)pyrrolidine
CID 118284741
1-tert-butyl-4-[3-(4-propan-2-ylphenyl)cyclopentyl]benzene
CID 58371806
1-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-4-chlorobenzene
CID 139724423

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-[4-[(4-propan-2-ylcyclohexyl)methyl]cyclohexyl]benzene?
The IUPAC name of 1-propan-2-yl-4-[4-[(4-propan-2-ylcyclohexyl)methyl]cyclohexyl]benzene (CID 159561903) is 1-propan-2-yl-4-[4-[(4-propan-2-ylcyclohexyl)methyl]cyclohexyl]benzene.
What is the SMILES notation for 1-propan-2-yl-4-[4-[(4-propan-2-ylcyclohexyl)methyl]cyclohexyl]benzene?
The canonical SMILES for 1-propan-2-yl-4-[4-[(4-propan-2-ylcyclohexyl)methyl]cyclohexyl]benzene is CC(C)c1ccc(C2CCC(CC3CCC(C(C)C)CC3)CC2)cc1.
What is the InChIKey of 1-propan-2-yl-4-[4-[(4-propan-2-ylcyclohexyl)methyl]cyclohexyl]benzene?
The InChIKey is OXHPSSWTNZUJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40/c1-18(2)22-9-5-20(6-10-22)17-21-7-11-24(12-8-21)25-15-13-23(14-16-25)19(3)4/h13-16,18-22,24H,5-12,17H2,1-4H3.
What are the key properties of 1-propan-2-yl-4-[4-[(4-propan-2-ylcyclohexyl)methyl]cyclohexyl]benzene?
1-propan-2-yl-4-[4-[(4-propan-2-ylcyclohexyl)methyl]cyclohexyl]benzene has a molecular weight of 340.60 g/mol, XLogP of 7.94, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-[4-[(4-propan-2-ylcyclohexyl)methyl]cyclohexyl]benzene is sourced from PubChem (CID 159561903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).