1-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-2-ylbenzene

C32H52 — CID 21052654

IUPAC1-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-2-ylbenzene
SMILESCCCC1CCC(CCC2CCC(C3CCC(CC(C)c4ccccc4)CC3)CC2)CC1
InChIInChI=1S/C32H52/c1-3-7-26-10-12-27(13-11-26)14-15-28-16-20-31(21-17-28)32-22-18-29(19-23-32)24-25(2)30-8-5-4-6-9-30/h4-6,8-9,25-29,31-32H,3,7,10-24H2,1-2H3
InChIKeyMSOVEWUQWUPRTA-UHFFFAOYSA-N
MW436.77 g/mol
LogP10.18
Rot. Bonds9

About 1-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-2-ylbenzene

1-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-2-ylbenzene (PubChem CID 21052654) has the molecular formula C32H52 and a molecular weight of 436.77 g/mol. Its IUPAC name is 1-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-2-ylbenzene.

Molecular Properties

Compound Name1-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-2-ylbenzene
PubChem CID21052654
Molecular FormulaC32H52
Molecular Weight436.77 g/mol
Exact Mass436.41
IUPAC Name1-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-2-ylbenzene
SMILESCCCC1CCC(CCC2CCC(C3CCC(CC(C)c4ccccc4)CC3)CC2)CC1
InChIInChI=1S/C32H52/c1-3-7-26-10-12-27(13-11-26)14-15-28-16-20-31(21-17-28)32-22-18-29(19-23-32)24-25(2)30-8-5-4-6-9-30/h4-6,8-9,25-29,31-32H,3,7,10-24H2,1-2H3
InChIKeyMSOVEWUQWUPRTA-UHFFFAOYSA-N
XLogP10.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.77
LogP ≤ 510.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-2-ylbenzene with MolForge

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Related Compounds

4-[2-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]ethyl]cyclohexan-1-ol
CID 71102889
1-[4-[4-[2-(4-ethoxycyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-2-ylbenzene
CID 21052683
1-chloro-4-[(2R)-1-[4-(4-propylcyclohexyl)cyclohexyl]propan-2-yl]benzene
CID 139753503
[(2S)-1-cyclopropylpropan-2-yl]benzene
CID 169109278
[(2S)-1-[4-[4-(4-pent-3-enylcyclohexyl)cyclohexyl]cyclohexyl]propan-2-yl]benzene
CID 91009695
1,3-difluoro-5-[2-[4-[4-(2-phenylpropyl)cyclohexyl]cyclohexyl]ethyl]-2-propylbenzene
CID 21052521
1-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]-4-propylbenzene
CID 58698224
1-ethoxy-4-[2-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexyl]ethyl]benzene
CID 58699202
1-propyl-4-[2-[4-[(2R)-1-(4-propylcyclohexyl)propan-2-yl]phenyl]ethyl]benzene
CID 139753533
1,2-difluoro-4-[2-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexyl]ethyl]benzene
CID 58698776
1-fluoro-4-[4-[4-(2-phenylpropyl)cyclohexyl]cyclohexyl]benzene
CID 21052652
1-chloro-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene
CID 58698353

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-2-ylbenzene?
The IUPAC name of 1-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-2-ylbenzene (CID 21052654) is 1-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-2-ylbenzene.
What is the SMILES notation for 1-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-2-ylbenzene?
The canonical SMILES for 1-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-2-ylbenzene is CCCC1CCC(CCC2CCC(C3CCC(CC(C)c4ccccc4)CC3)CC2)CC1.
What is the InChIKey of 1-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-2-ylbenzene?
The InChIKey is MSOVEWUQWUPRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H52/c1-3-7-26-10-12-27(13-11-26)14-15-28-16-20-31(21-17-28)32-22-18-29(19-23-32)24-25(2)30-8-5-4-6-9-30/h4-6,8-9,25-29,31-32H,3,7,10-24H2,1-2H3.
What are the key properties of 1-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-2-ylbenzene?
1-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-2-ylbenzene has a molecular weight of 436.77 g/mol, XLogP of 10.18, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-2-ylbenzene is sourced from PubChem (CID 21052654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).