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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Related Compounds

9-[6-(7-carboxyheptyl)-5-octyl-4-pentylcyclohex-2-en-1-yl]nonanoic acid
CID 132530400
3-heptyl-4,6-dihexyl-5-[(E)-oct-2-enyl]cyclohexene
CID 143109204
3-hexyl-5,6-bis(8-isocyanatooctyl)-4-octylcyclohexene
CID 59381449
3-[6-(2-cyanoethyl)-5-pentyl-4-propylcyclohex-2-en-1-yl]propanenitrile
CID 58382944
bis(carbon dioxide);3,4-diheptyl-6-hexyl-5-oct-2-enylcyclohexene
CID 162301368
5-heptyl-3-hexyl-6-(6-iodohexyl)-4-[(E)-oct-2-enyl]cyclohexene
CID 142817733
3,6-dibutylcyclohexa-1,4-diene
CID 90992302
7-[4-hexyl-6-[7-(methylamino)heptyl]-5-[(E)-oct-2-enyl]cyclohex-2-en-1-yl]-N-methylheptan-1-amine
CID 155426272
9-[6-(8-carboxyoctyl)-4-hexyl-5-oct-2-enylcyclohex-2-en-1-yl]nonanoic acid
CID 139890900
4-butyl-7-ethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
CID 87059714
(1R,2R)-2-butylcyclohex-3-en-1-ol
CID 11205888
4-(5-pentyl-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl)butanoic acid
CID 71361986

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).