1-cyclohexyl-6-cyclopenta-1,3-dien-1-ylcyclohexene

C17H24 — CID 90750865

IUPAC1-cyclohexyl-6-cyclopenta-1,3-dien-1-ylcyclohexene
SMILESC1=CCC(C2CCCC=C2C2CCCCC2)=C1
InChIInChI=1S/C17H24/c1-2-8-14(9-3-1)16-12-6-7-13-17(16)15-10-4-5-11-15/h4-5,10,12,14,17H,1-3,6-9,11,13H2
InChIKeyFBDCYHYLGXHKOJ-UHFFFAOYSA-N
MW228.38 g/mol
LogP5.18
Rot. Bonds2

About 1-cyclohexyl-6-cyclopenta-1,3-dien-1-ylcyclohexene

1-cyclohexyl-6-cyclopenta-1,3-dien-1-ylcyclohexene (PubChem CID 90750865) has the molecular formula C17H24 and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-cyclohexyl-6-cyclopenta-1,3-dien-1-ylcyclohexene.

Molecular Properties

Compound Name1-cyclohexyl-6-cyclopenta-1,3-dien-1-ylcyclohexene
PubChem CID90750865
Molecular FormulaC17H24
Molecular Weight228.38 g/mol
Exact Mass228.19
IUPAC Name1-cyclohexyl-6-cyclopenta-1,3-dien-1-ylcyclohexene
SMILESC1=CCC(C2CCCC=C2C2CCCCC2)=C1
InChIInChI=1S/C17H24/c1-2-8-14(9-3-1)16-12-6-7-13-17(16)15-10-4-5-11-15/h4-5,10,12,14,17H,1-3,6-9,11,13H2
InChIKeyFBDCYHYLGXHKOJ-UHFFFAOYSA-N
XLogP5.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.38
LogP ≤ 55.18
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 1-cyclohexyl-6-cyclopenta-1,3-dien-1-ylcyclohexene?
The IUPAC name of 1-cyclohexyl-6-cyclopenta-1,3-dien-1-ylcyclohexene (CID 90750865) is 1-cyclohexyl-6-cyclopenta-1,3-dien-1-ylcyclohexene.
What is the SMILES notation for 1-cyclohexyl-6-cyclopenta-1,3-dien-1-ylcyclohexene?
The canonical SMILES for 1-cyclohexyl-6-cyclopenta-1,3-dien-1-ylcyclohexene is C1=CCC(C2CCCC=C2C2CCCCC2)=C1.
What is the InChIKey of 1-cyclohexyl-6-cyclopenta-1,3-dien-1-ylcyclohexene?
The InChIKey is FBDCYHYLGXHKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24/c1-2-8-14(9-3-1)16-12-6-7-13-17(16)15-10-4-5-11-15/h4-5,10,12,14,17H,1-3,6-9,11,13H2.
What are the key properties of 1-cyclohexyl-6-cyclopenta-1,3-dien-1-ylcyclohexene?
1-cyclohexyl-6-cyclopenta-1,3-dien-1-ylcyclohexene has a molecular weight of 228.38 g/mol, XLogP of 5.18, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-6-cyclopenta-1,3-dien-1-ylcyclohexene is sourced from PubChem (CID 90750865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).