4-cyclopentylbutylcyclopentane

C14H26 — CID 535104

IUPAC4-cyclopentylbutylcyclopentane
SMILESC1CCC(CCCCC2CCCC2)C1
InChIInChI=1S/C14H26/c1-2-8-13(7-1)11-5-6-12-14-9-3-4-10-14/h13-14H,1-12H2
InChIKeyDDFOSKBMELVNDG-UHFFFAOYSA-N
MW194.36 g/mol
LogP4.93
Rot. Bonds5

About 4-cyclopentylbutylcyclopentane

4-cyclopentylbutylcyclopentane (PubChem CID 535104) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 4-cyclopentylbutylcyclopentane.

Molecular Properties

Compound Name4-cyclopentylbutylcyclopentane
PubChem CID535104
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name4-cyclopentylbutylcyclopentane
SMILESC1CCC(CCCCC2CCCC2)C1
InChIInChI=1S/C14H26/c1-2-8-13(7-1)11-5-6-12-14-9-3-4-10-14/h13-14H,1-12H2
InChIKeyDDFOSKBMELVNDG-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentylbutylcyclopentane?
The IUPAC name of 4-cyclopentylbutylcyclopentane (CID 535104) is 4-cyclopentylbutylcyclopentane.
What is the SMILES notation for 4-cyclopentylbutylcyclopentane?
The canonical SMILES for 4-cyclopentylbutylcyclopentane is C1CCC(CCCCC2CCCC2)C1.
What is the InChIKey of 4-cyclopentylbutylcyclopentane?
The InChIKey is DDFOSKBMELVNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-2-8-13(7-1)11-5-6-12-14-9-3-4-10-14/h13-14H,1-12H2.
What are the key properties of 4-cyclopentylbutylcyclopentane?
4-cyclopentylbutylcyclopentane has a molecular weight of 194.36 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentylbutylcyclopentane is sourced from PubChem (CID 535104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).