3-cyclobutylpropylcyclohexane

C13H24 — CID 54165208

IUPAC3-cyclobutylpropylcyclohexane
SMILESC1CCC(CCCC2CCC2)CC1
InChIInChI=1S/C13H24/c1-2-6-12(7-3-1)8-4-9-13-10-5-11-13/h12-13H,1-11H2
InChIKeyDJVSWMJJPDLCCZ-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.54
Rot. Bonds4

About 3-cyclobutylpropylcyclohexane

3-cyclobutylpropylcyclohexane (PubChem CID 54165208) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 3-cyclobutylpropylcyclohexane.

Molecular Properties

Compound Name3-cyclobutylpropylcyclohexane
PubChem CID54165208
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name3-cyclobutylpropylcyclohexane
SMILESC1CCC(CCCC2CCC2)CC1
InChIInChI=1S/C13H24/c1-2-6-12(7-3-1)8-4-9-13-10-5-11-13/h12-13H,1-11H2
InChIKeyDJVSWMJJPDLCCZ-UHFFFAOYSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
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

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Related Compounds

3-cyclohexadecylpropylcyclohexadecane
CID 57270632
4-cyclopentylbutylcyclohexane
CID 144547696
5-cyclobutylpentylcyclobutane
CID 173228999
1-(cyclohexylmethyl)-4-(4-cyclopropylbutyl)cyclohexane
CID 168781110
1-butyl-5-cyclohexylcyclopentadecane
CID 58552501
4-(3-cyclopentylpropyl)cyclopentene
CID 148933494
4-cycloheptylbutan-1-ol
CID 54439965
3-cyclobutylpropyl-λ2-stannane
CID 175324762
3-iodopropylcyclopentane
CID 15508337
1-(4-chlorobutyl)-4-(4-cyclohexylbutyl)cyclohexane
CID 57205272
3-cyclohexylpropan-1-amine;ethane
CID 143945055
4-cyclohexylbutan-1-amine;hydrochloride
CID 67665513

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutylpropylcyclohexane?
The IUPAC name of 3-cyclobutylpropylcyclohexane (CID 54165208) is 3-cyclobutylpropylcyclohexane.
What is the SMILES notation for 3-cyclobutylpropylcyclohexane?
The canonical SMILES for 3-cyclobutylpropylcyclohexane is C1CCC(CCCC2CCC2)CC1.
What is the InChIKey of 3-cyclobutylpropylcyclohexane?
The InChIKey is DJVSWMJJPDLCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-2-6-12(7-3-1)8-4-9-13-10-5-11-13/h12-13H,1-11H2.
What are the key properties of 3-cyclobutylpropylcyclohexane?
3-cyclobutylpropylcyclohexane has a molecular weight of 180.33 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutylpropylcyclohexane is sourced from PubChem (CID 54165208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).