6-butyl-1,5,5-trimethylcyclohexene

C13H24 — CID 15402298

IUPAC6-butyl-1,5,5-trimethylcyclohexene
SMILESCCCCC1C(C)=CCCC1(C)C
InChIInChI=1S/C13H24/c1-5-6-9-12-11(2)8-7-10-13(12,3)4/h8,12H,5-7,9-10H2,1-4H3
InChIKeyTVETYNMRADSUPZ-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.56
Rot. Bonds3

About 6-butyl-1,5,5-trimethylcyclohexene

6-butyl-1,5,5-trimethylcyclohexene (PubChem CID 15402298) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 6-butyl-1,5,5-trimethylcyclohexene.

Molecular Properties

Compound Name6-butyl-1,5,5-trimethylcyclohexene
PubChem CID15402298
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name6-butyl-1,5,5-trimethylcyclohexene
SMILESCCCCC1C(C)=CCCC1(C)C
InChIInChI=1S/C13H24/c1-5-6-9-12-11(2)8-7-10-13(12,3)4/h8,12H,5-7,9-10H2,1-4H3
InChIKeyTVETYNMRADSUPZ-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-butyl-1,5,5-trimethylcyclohexene?
The IUPAC name of 6-butyl-1,5,5-trimethylcyclohexene (CID 15402298) is 6-butyl-1,5,5-trimethylcyclohexene.
What is the SMILES notation for 6-butyl-1,5,5-trimethylcyclohexene?
The canonical SMILES for 6-butyl-1,5,5-trimethylcyclohexene is CCCCC1C(C)=CCCC1(C)C.
What is the InChIKey of 6-butyl-1,5,5-trimethylcyclohexene?
The InChIKey is TVETYNMRADSUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-5-6-9-12-11(2)8-7-10-13(12,3)4/h8,12H,5-7,9-10H2,1-4H3.
What are the key properties of 6-butyl-1,5,5-trimethylcyclohexene?
6-butyl-1,5,5-trimethylcyclohexene has a molecular weight of 180.33 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-1,5,5-trimethylcyclohexene is sourced from PubChem (CID 15402298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).