1-(1-cyclohexylcyclopentyl)-1-propylcyclohexane

C20H36 — CID 90741869

IUPAC1-(1-cyclohexylcyclopentyl)-1-propylcyclohexane
SMILESCCCC1(C2(C3CCCCC3)CCCC2)CCCCC1
InChIInChI=1S/C20H36/c1-2-13-19(14-7-4-8-15-19)20(16-9-10-17-20)18-11-5-3-6-12-18/h18H,2-17H2,1H3
InChIKeyNVJKIUJXLGIBEY-UHFFFAOYSA-N
MW276.51 g/mol
LogP6.88
Rot. Bonds4

About 1-(1-cyclohexylcyclopentyl)-1-propylcyclohexane

1-(1-cyclohexylcyclopentyl)-1-propylcyclohexane (PubChem CID 90741869) has the molecular formula C20H36 and a molecular weight of 276.51 g/mol. Its IUPAC name is 1-(1-cyclohexylcyclopentyl)-1-propylcyclohexane.

Molecular Properties

Compound Name1-(1-cyclohexylcyclopentyl)-1-propylcyclohexane
PubChem CID90741869
Molecular FormulaC20H36
Molecular Weight276.51 g/mol
Exact Mass276.28
IUPAC Name1-(1-cyclohexylcyclopentyl)-1-propylcyclohexane
SMILESCCCC1(C2(C3CCCCC3)CCCC2)CCCCC1
InChIInChI=1S/C20H36/c1-2-13-19(14-7-4-8-15-19)20(16-9-10-17-20)18-11-5-3-6-12-18/h18H,2-17H2,1H3
InChIKeyNVJKIUJXLGIBEY-UHFFFAOYSA-N
XLogP6.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.51
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylcyclopentyl)-1-propylcyclohexane?
The IUPAC name of 1-(1-cyclohexylcyclopentyl)-1-propylcyclohexane (CID 90741869) is 1-(1-cyclohexylcyclopentyl)-1-propylcyclohexane.
What is the SMILES notation for 1-(1-cyclohexylcyclopentyl)-1-propylcyclohexane?
The canonical SMILES for 1-(1-cyclohexylcyclopentyl)-1-propylcyclohexane is CCCC1(C2(C3CCCCC3)CCCC2)CCCCC1.
What is the InChIKey of 1-(1-cyclohexylcyclopentyl)-1-propylcyclohexane?
The InChIKey is NVJKIUJXLGIBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36/c1-2-13-19(14-7-4-8-15-19)20(16-9-10-17-20)18-11-5-3-6-12-18/h18H,2-17H2,1H3.
What are the key properties of 1-(1-cyclohexylcyclopentyl)-1-propylcyclohexane?
1-(1-cyclohexylcyclopentyl)-1-propylcyclohexane has a molecular weight of 276.51 g/mol, XLogP of 6.88, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylcyclopentyl)-1-propylcyclohexane is sourced from PubChem (CID 90741869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).