3-cyclohexyl-3-propylcyclohexa-1,4-diene

C15H24 — CID 173011932

IUPAC3-cyclohexyl-3-propylcyclohexa-1,4-diene
SMILESCCCC1(C2CCCCC2)C=CCC=C1
InChIInChI=1S/C15H24/c1-2-11-15(12-7-4-8-13-15)14-9-5-3-6-10-14/h7-8,12-14H,2-6,9-11H2,1H3
InChIKeySRJSESLCYPCEKI-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.87
Rot. Bonds3

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

3-cyclohexyl-3-propylcyclohexa-1,4-diene (PubChem CID 173011932) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 3-cyclohexyl-3-propylcyclohexa-1,4-diene.

Molecular Properties

Compound Name3-cyclohexyl-3-propylcyclohexa-1,4-diene
PubChem CID173011932
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name3-cyclohexyl-3-propylcyclohexa-1,4-diene
SMILESCCCC1(C2CCCCC2)C=CCC=C1
InChIInChI=1S/C15H24/c1-2-11-15(12-7-4-8-13-15)14-9-5-3-6-10-14/h7-8,12-14H,2-6,9-11H2,1H3
InChIKeySRJSESLCYPCEKI-UHFFFAOYSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.87
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-cyclohexyl-3-propylcyclohexa-1,4-diene?
The IUPAC name of 3-cyclohexyl-3-propylcyclohexa-1,4-diene (CID 173011932) is 3-cyclohexyl-3-propylcyclohexa-1,4-diene.
What is the SMILES notation for 3-cyclohexyl-3-propylcyclohexa-1,4-diene?
The canonical SMILES for 3-cyclohexyl-3-propylcyclohexa-1,4-diene is CCCC1(C2CCCCC2)C=CCC=C1.
What is the InChIKey of 3-cyclohexyl-3-propylcyclohexa-1,4-diene?
The InChIKey is SRJSESLCYPCEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-2-11-15(12-7-4-8-13-15)14-9-5-3-6-10-14/h7-8,12-14H,2-6,9-11H2,1H3.
What are the key properties of 3-cyclohexyl-3-propylcyclohexa-1,4-diene?
3-cyclohexyl-3-propylcyclohexa-1,4-diene has a molecular weight of 204.36 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-3-propylcyclohexa-1,4-diene is sourced from PubChem (CID 173011932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).