3-cyclohexyl-3-pentylcyclohexa-1,4-diene

C17H28 — CID 173011967

IUPAC3-cyclohexyl-3-pentylcyclohexa-1,4-diene
SMILESCCCCCC1(C2CCCCC2)C=CCC=C1
InChIInChI=1S/C17H28/c1-2-3-8-13-17(14-9-5-10-15-17)16-11-6-4-7-12-16/h9-10,14-16H,2-8,11-13H2,1H3
InChIKeyOFHVXZKJZFXQMD-UHFFFAOYSA-N
MW232.41 g/mol
LogP5.65
Rot. Bonds5

About 3-cyclohexyl-3-pentylcyclohexa-1,4-diene

3-cyclohexyl-3-pentylcyclohexa-1,4-diene (PubChem CID 173011967) has the molecular formula C17H28 and a molecular weight of 232.41 g/mol. Its IUPAC name is 3-cyclohexyl-3-pentylcyclohexa-1,4-diene.

Molecular Properties

Compound Name3-cyclohexyl-3-pentylcyclohexa-1,4-diene
PubChem CID173011967
Molecular FormulaC17H28
Molecular Weight232.41 g/mol
Exact Mass232.22
IUPAC Name3-cyclohexyl-3-pentylcyclohexa-1,4-diene
SMILESCCCCCC1(C2CCCCC2)C=CCC=C1
InChIInChI=1S/C17H28/c1-2-3-8-13-17(14-9-5-10-15-17)16-11-6-4-7-12-16/h9-10,14-16H,2-8,11-13H2,1H3
InChIKeyOFHVXZKJZFXQMD-UHFFFAOYSA-N
XLogP5.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.41
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-cyclohexyl-3-propylcyclohexa-1,4-diene
CID 173011932
1-cyclohexyl-4-heptylbicyclo[2.2.2]octane
CID 56607636
4-cyclohexyl-4-pentylcyclohexa-1,5-diene-1-carbaldehyde
CID 87124439
1-butyl-1-cycloheptylcycloheptane
CID 140610618
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;cyclopentane;hexane;propane
CID 173273683
1-butyl-1-cyclohexyl-4-methylcyclohexane
CID 139676896
7-heptylbicyclo[4.1.0]heptan-7-ol
CID 79331994
1-cyclopropyl-1-pentylcyclopropane
CID 173187185
CID 19601948
CID 19601948
1-pentylbicyclo[2.2.2]octane
CID 13184608
2,6-dicyclopentyl-6-heptylcyclohexa-1,4-diene-1,3-diamine
CID 68626368
3-tert-butyl-3-octoxycyclohexa-1,4-diene
CID 173196640

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-3-pentylcyclohexa-1,4-diene?
The IUPAC name of 3-cyclohexyl-3-pentylcyclohexa-1,4-diene (CID 173011967) is 3-cyclohexyl-3-pentylcyclohexa-1,4-diene.
What is the SMILES notation for 3-cyclohexyl-3-pentylcyclohexa-1,4-diene?
The canonical SMILES for 3-cyclohexyl-3-pentylcyclohexa-1,4-diene is CCCCCC1(C2CCCCC2)C=CCC=C1.
What is the InChIKey of 3-cyclohexyl-3-pentylcyclohexa-1,4-diene?
The InChIKey is OFHVXZKJZFXQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28/c1-2-3-8-13-17(14-9-5-10-15-17)16-11-6-4-7-12-16/h9-10,14-16H,2-8,11-13H2,1H3.
What are the key properties of 3-cyclohexyl-3-pentylcyclohexa-1,4-diene?
3-cyclohexyl-3-pentylcyclohexa-1,4-diene has a molecular weight of 232.41 g/mol, XLogP of 5.65, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-3-pentylcyclohexa-1,4-diene is sourced from PubChem (CID 173011967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).