[6-cyclopentyl-3-(3-cyclopentylpropyl)hexyl]benzene

C25H40 — CID 564248

IUPAC[6-cyclopentyl-3-(3-cyclopentylpropyl)hexyl]benzene
SMILESc1ccc(CCC(CCCC2CCCC2)CCCC2CCCC2)cc1
InChIInChI=1S/C25H40/c1-2-10-24(11-3-1)20-21-25(18-8-16-22-12-4-5-13-22)19-9-17-23-14-6-7-15-23/h1-3,10-11,22-23,25H,4-9,12-21H2
InChIKeyCFGYPQLTAHANIB-UHFFFAOYSA-N
MW340.59 g/mol
LogP7.96
Rot. Bonds11

About [6-cyclopentyl-3-(3-cyclopentylpropyl)hexyl]benzene

[6-cyclopentyl-3-(3-cyclopentylpropyl)hexyl]benzene (PubChem CID 564248) has the molecular formula C25H40 and a molecular weight of 340.59 g/mol. Its IUPAC name is [6-cyclopentyl-3-(3-cyclopentylpropyl)hexyl]benzene.

Molecular Properties

Compound Name[6-cyclopentyl-3-(3-cyclopentylpropyl)hexyl]benzene
PubChem CID564248
Molecular FormulaC25H40
Molecular Weight340.59 g/mol
Exact Mass340.31
IUPAC Name[6-cyclopentyl-3-(3-cyclopentylpropyl)hexyl]benzene
SMILESc1ccc(CCC(CCCC2CCCC2)CCCC2CCCC2)cc1
InChIInChI=1S/C25H40/c1-2-10-24(11-3-1)20-21-25(18-8-16-22-12-4-5-13-22)19-9-17-23-14-6-7-15-23/h1-3,10-11,22-23,25H,4-9,12-21H2
InChIKeyCFGYPQLTAHANIB-UHFFFAOYSA-N
XLogP7.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.59
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[3-(cyclohexylmethyl)-6-phenylhexyl]benzene
CID 173252623
2-phenylethylcyclooctane
CID 54073487
1-cyclohexyl-5-phenylpentan-3-amine
CID 115793645
(5-cyclohexyl-3-methoxypentyl)benzene
CID 143381268
(1-cyclohexyl-5-phenylpentan-3-yl)hydrazine
CID 105285878
(Z,3R)-12-cyclohexyl-3-(2-phenylethyl)dodec-9-enoic acid
CID 163017288
12-cyclohexyl-3-(2-phenylethyl)dodec-9-enoic acid
CID 163017286
4-cyclopropylbutylbenzene
CID 10261592
[7-cyclohexyl-4-(2-cyclohexylethyl)heptyl]cyclohexane
CID 71438405
4-cyclopentyl-1-phenylbutan-1-amine
CID 64504653
5-cyclopropylpentylbenzene
CID 91089836
3-(3-cyclohexylpropylamino)-2-oxo-5-phenylpentanoic acid
CID 142774973

Frequently Asked Questions

What is the IUPAC name of [6-cyclopentyl-3-(3-cyclopentylpropyl)hexyl]benzene?
The IUPAC name of [6-cyclopentyl-3-(3-cyclopentylpropyl)hexyl]benzene (CID 564248) is [6-cyclopentyl-3-(3-cyclopentylpropyl)hexyl]benzene.
What is the SMILES notation for [6-cyclopentyl-3-(3-cyclopentylpropyl)hexyl]benzene?
The canonical SMILES for [6-cyclopentyl-3-(3-cyclopentylpropyl)hexyl]benzene is c1ccc(CCC(CCCC2CCCC2)CCCC2CCCC2)cc1.
What is the InChIKey of [6-cyclopentyl-3-(3-cyclopentylpropyl)hexyl]benzene?
The InChIKey is CFGYPQLTAHANIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40/c1-2-10-24(11-3-1)20-21-25(18-8-16-22-12-4-5-13-22)19-9-17-23-14-6-7-15-23/h1-3,10-11,22-23,25H,4-9,12-21H2.
What are the key properties of [6-cyclopentyl-3-(3-cyclopentylpropyl)hexyl]benzene?
[6-cyclopentyl-3-(3-cyclopentylpropyl)hexyl]benzene has a molecular weight of 340.59 g/mol, XLogP of 7.96, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [6-cyclopentyl-3-(3-cyclopentylpropyl)hexyl]benzene is sourced from PubChem (CID 564248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).