5-cyclobutylpentylcyclobutane

C13H24 — CID 173228999

IUPAC5-cyclobutylpentylcyclobutane
SMILESC(CCC1CCC1)CCC1CCC1
InChIInChI=1S/C13H24/c1(2-6-12-8-4-9-12)3-7-13-10-5-11-13/h12-13H,1-11H2
InChIKeyPQUSVPSIYKXPKO-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.54
Rot. Bonds6

About 5-cyclobutylpentylcyclobutane

5-cyclobutylpentylcyclobutane (PubChem CID 173228999) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 5-cyclobutylpentylcyclobutane.

Molecular Properties

Compound Name5-cyclobutylpentylcyclobutane
PubChem CID173228999
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name5-cyclobutylpentylcyclobutane
SMILESC(CCC1CCC1)CCC1CCC1
InChIInChI=1S/C13H24/c1(2-6-12-8-4-9-12)3-7-13-10-5-11-13/h12-13H,1-11H2
InChIKeyPQUSVPSIYKXPKO-UHFFFAOYSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.54
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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Related Compounds

4-cyclopentylbutylcyclohexane
CID 144547696
3-cyclobutylpropylcyclohexane
CID 54165208
8-cyclopentyloctan-1-ol
CID 19083491
5-chloropentylcyclopentane
CID 91621144
3-cyclohexadecylpropylcyclohexadecane
CID 57270632
1-(6-cyclobutylhexyl)azetidine
CID 139396339
8-cyclobutyloctanoic acid
CID 72551210
3-cyclobutylpropyl-λ2-stannane
CID 175324762
tetradecylcyclododecane
CID 169026037
tetradecylcycloundecane
CID 169026040
docosylcyclohexane
CID 521991
11-cyclohexylundecan-1-ol
CID 18980516

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutylpentylcyclobutane?
The IUPAC name of 5-cyclobutylpentylcyclobutane (CID 173228999) is 5-cyclobutylpentylcyclobutane.
What is the SMILES notation for 5-cyclobutylpentylcyclobutane?
The canonical SMILES for 5-cyclobutylpentylcyclobutane is C(CCC1CCC1)CCC1CCC1.
What is the InChIKey of 5-cyclobutylpentylcyclobutane?
The InChIKey is PQUSVPSIYKXPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1(2-6-12-8-4-9-12)3-7-13-10-5-11-13/h12-13H,1-11H2.
What are the key properties of 5-cyclobutylpentylcyclobutane?
5-cyclobutylpentylcyclobutane has a molecular weight of 180.33 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutylpentylcyclobutane is sourced from PubChem (CID 173228999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).