tricyclopentylmethylcyclopentane

C21H36 — CID 22929209

IUPACtricyclopentylmethylcyclopentane
SMILESC1CCC(C(C2CCCC2)(C2CCCC2)C2CCCC2)C1
InChIInChI=1S/C21H36/c1-2-10-17(9-1)21(18-11-3-4-12-18,19-13-5-6-14-19)20-15-7-8-16-20/h17-20H,1-16H2
InChIKeyUFPKMRMCWBSEBK-UHFFFAOYSA-N
MW288.52 g/mol
LogP6.73
Rot. Bonds4

About tricyclopentylmethylcyclopentane

tricyclopentylmethylcyclopentane (PubChem CID 22929209) has the molecular formula C21H36 and a molecular weight of 288.52 g/mol. Its IUPAC name is tricyclopentylmethylcyclopentane.

Molecular Properties

Compound Nametricyclopentylmethylcyclopentane
PubChem CID22929209
Molecular FormulaC21H36
Molecular Weight288.52 g/mol
Exact Mass288.28
IUPAC Nametricyclopentylmethylcyclopentane
SMILESC1CCC(C(C2CCCC2)(C2CCCC2)C2CCCC2)C1
InChIInChI=1S/C21H36/c1-2-10-17(9-1)21(18-11-3-4-12-18,19-13-5-6-14-19)20-15-7-8-16-20/h17-20H,1-16H2
InChIKeyUFPKMRMCWBSEBK-UHFFFAOYSA-N
XLogP6.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.52
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of tricyclopentylmethylcyclopentane?
The IUPAC name of tricyclopentylmethylcyclopentane (CID 22929209) is tricyclopentylmethylcyclopentane.
What is the SMILES notation for tricyclopentylmethylcyclopentane?
The canonical SMILES for tricyclopentylmethylcyclopentane is C1CCC(C(C2CCCC2)(C2CCCC2)C2CCCC2)C1.
What is the InChIKey of tricyclopentylmethylcyclopentane?
The InChIKey is UFPKMRMCWBSEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36/c1-2-10-17(9-1)21(18-11-3-4-12-18,19-13-5-6-14-19)20-15-7-8-16-20/h17-20H,1-16H2.
What are the key properties of tricyclopentylmethylcyclopentane?
tricyclopentylmethylcyclopentane has a molecular weight of 288.52 g/mol, XLogP of 6.73, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclopentylmethylcyclopentane is sourced from PubChem (CID 22929209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).