3,4,5,6-tetrabutylcyclohexene

C22H42 — CID 21497713

IUPAC3,4,5,6-tetrabutylcyclohexene
SMILESCCCCC1C=CC(CCCC)C(CCCC)C1CCCC
InChIInChI=1S/C22H42/c1-5-9-13-19-17-18-20(14-10-6-2)22(16-12-8-4)21(19)15-11-7-3/h17-22H,5-16H2,1-4H3
InChIKeyOJPONJHYJOSQSC-UHFFFAOYSA-N
MW306.58 g/mol
LogP7.78
Rot. Bonds12

About 3,4,5,6-tetrabutylcyclohexene

3,4,5,6-tetrabutylcyclohexene (PubChem CID 21497713) has the molecular formula C22H42 and a molecular weight of 306.58 g/mol. Its IUPAC name is 3,4,5,6-tetrabutylcyclohexene.

Molecular Properties

Compound Name3,4,5,6-tetrabutylcyclohexene
PubChem CID21497713
Molecular FormulaC22H42
Molecular Weight306.58 g/mol
Exact Mass306.33
IUPAC Name3,4,5,6-tetrabutylcyclohexene
SMILESCCCCC1C=CC(CCCC)C(CCCC)C1CCCC
InChIInChI=1S/C22H42/c1-5-9-13-19-17-18-20(14-10-6-2)22(16-12-8-4)21(19)15-11-7-3/h17-22H,5-16H2,1-4H3
InChIKeyOJPONJHYJOSQSC-UHFFFAOYSA-N
XLogP7.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.58
LogP ≤ 57.78
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 3,4,5,6-tetrabutylcyclohexene?
The IUPAC name of 3,4,5,6-tetrabutylcyclohexene (CID 21497713) is 3,4,5,6-tetrabutylcyclohexene.
What is the SMILES notation for 3,4,5,6-tetrabutylcyclohexene?
The canonical SMILES for 3,4,5,6-tetrabutylcyclohexene is CCCCC1C=CC(CCCC)C(CCCC)C1CCCC.
What is the InChIKey of 3,4,5,6-tetrabutylcyclohexene?
The InChIKey is OJPONJHYJOSQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42/c1-5-9-13-19-17-18-20(14-10-6-2)22(16-12-8-4)21(19)15-11-7-3/h17-22H,5-16H2,1-4H3.
What are the key properties of 3,4,5,6-tetrabutylcyclohexene?
3,4,5,6-tetrabutylcyclohexene has a molecular weight of 306.58 g/mol, XLogP of 7.78, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6-tetrabutylcyclohexene is sourced from PubChem (CID 21497713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).