1-cyclohexyl-3-(3-cyclohexyl-1-bicyclo[1.1.1]pentanyl)bicyclo[1.1.1]pentane

C22H34 — CID 10614048

IUPAC1-cyclohexyl-3-(3-cyclohexyl-1-bicyclo[1.1.1]pentanyl)bicyclo[1.1.1]pentane
SMILESC1CCC(C23CC(C45CC(C6CCCCC6)(C4)C5)(C2)C3)CC1
InChIInChI=1S/C22H34/c1-3-7-17(8-4-1)19-11-21(12-19,13-19)22-14-20(15-22,16-22)18-9-5-2-6-10-18/h17-18H,1-16H2
InChIKeyRXFYOLRSAXJPLW-UHFFFAOYSA-N
MW298.51 g/mol
LogP6.49
Rot. Bonds3

About 1-cyclohexyl-3-(3-cyclohexyl-1-bicyclo[1.1.1]pentanyl)bicyclo[1.1.1]pentane

1-cyclohexyl-3-(3-cyclohexyl-1-bicyclo[1.1.1]pentanyl)bicyclo[1.1.1]pentane (PubChem CID 10614048) has the molecular formula C22H34 and a molecular weight of 298.51 g/mol. Its IUPAC name is 1-cyclohexyl-3-(3-cyclohexyl-1-bicyclo[1.1.1]pentanyl)bicyclo[1.1.1]pentane.

Molecular Properties

Compound Name1-cyclohexyl-3-(3-cyclohexyl-1-bicyclo[1.1.1]pentanyl)bicyclo[1.1.1]pentane
PubChem CID10614048
Molecular FormulaC22H34
Molecular Weight298.51 g/mol
Exact Mass298.27
IUPAC Name1-cyclohexyl-3-(3-cyclohexyl-1-bicyclo[1.1.1]pentanyl)bicyclo[1.1.1]pentane
SMILESC1CCC(C23CC(C45CC(C6CCCCC6)(C4)C5)(C2)C3)CC1
InChIInChI=1S/C22H34/c1-3-7-17(8-4-1)19-11-21(12-19,13-19)22-14-20(15-22,16-22)18-9-5-2-6-10-18/h17-18H,1-16H2
InChIKeyRXFYOLRSAXJPLW-UHFFFAOYSA-N
XLogP6.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.51
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(3-cyclohexyl-1-bicyclo[1.1.1]pentanyl)bicyclo[1.1.1]pentane?
The IUPAC name of 1-cyclohexyl-3-(3-cyclohexyl-1-bicyclo[1.1.1]pentanyl)bicyclo[1.1.1]pentane (CID 10614048) is 1-cyclohexyl-3-(3-cyclohexyl-1-bicyclo[1.1.1]pentanyl)bicyclo[1.1.1]pentane.
What is the SMILES notation for 1-cyclohexyl-3-(3-cyclohexyl-1-bicyclo[1.1.1]pentanyl)bicyclo[1.1.1]pentane?
The canonical SMILES for 1-cyclohexyl-3-(3-cyclohexyl-1-bicyclo[1.1.1]pentanyl)bicyclo[1.1.1]pentane is C1CCC(C23CC(C45CC(C6CCCCC6)(C4)C5)(C2)C3)CC1.
What is the InChIKey of 1-cyclohexyl-3-(3-cyclohexyl-1-bicyclo[1.1.1]pentanyl)bicyclo[1.1.1]pentane?
The InChIKey is RXFYOLRSAXJPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34/c1-3-7-17(8-4-1)19-11-21(12-19,13-19)22-14-20(15-22,16-22)18-9-5-2-6-10-18/h17-18H,1-16H2.
What are the key properties of 1-cyclohexyl-3-(3-cyclohexyl-1-bicyclo[1.1.1]pentanyl)bicyclo[1.1.1]pentane?
1-cyclohexyl-3-(3-cyclohexyl-1-bicyclo[1.1.1]pentanyl)bicyclo[1.1.1]pentane has a molecular weight of 298.51 g/mol, XLogP of 6.49, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(3-cyclohexyl-1-bicyclo[1.1.1]pentanyl)bicyclo[1.1.1]pentane is sourced from PubChem (CID 10614048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).