1-cyclohexyl-4-hexa-1,5-dienylcyclohexane

C18H30 — CID 57115244

IUPAC1-cyclohexyl-4-hexa-1,5-dienylcyclohexane
SMILESC=CCCC=CC1CCC(C2CCCCC2)CC1
InChIInChI=1S/C18H30/c1-2-3-4-6-9-16-12-14-18(15-13-16)17-10-7-5-8-11-17/h2,6,9,16-18H,1,3-5,7-8,10-15H2
InChIKeyPMGZLORCOBGPGA-UHFFFAOYSA-N
MW246.44 g/mol
LogP5.90
Rot. Bonds5

About 1-cyclohexyl-4-hexa-1,5-dienylcyclohexane

1-cyclohexyl-4-hexa-1,5-dienylcyclohexane (PubChem CID 57115244) has the molecular formula C18H30 and a molecular weight of 246.44 g/mol. Its IUPAC name is 1-cyclohexyl-4-hexa-1,5-dienylcyclohexane.

Molecular Properties

Compound Name1-cyclohexyl-4-hexa-1,5-dienylcyclohexane
PubChem CID57115244
Molecular FormulaC18H30
Molecular Weight246.44 g/mol
Exact Mass246.23
IUPAC Name1-cyclohexyl-4-hexa-1,5-dienylcyclohexane
SMILESC=CCCC=CC1CCC(C2CCCCC2)CC1
InChIInChI=1S/C18H30/c1-2-3-4-6-9-16-12-14-18(15-13-16)17-10-7-5-8-11-17/h2,6,9,16-18H,1,3-5,7-8,10-15H2
InChIKeyPMGZLORCOBGPGA-UHFFFAOYSA-N
XLogP5.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.44
LogP ≤ 55.90
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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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-hexa-1,5-dienylcyclohexane?
The IUPAC name of 1-cyclohexyl-4-hexa-1,5-dienylcyclohexane (CID 57115244) is 1-cyclohexyl-4-hexa-1,5-dienylcyclohexane.
What is the SMILES notation for 1-cyclohexyl-4-hexa-1,5-dienylcyclohexane?
The canonical SMILES for 1-cyclohexyl-4-hexa-1,5-dienylcyclohexane is C=CCCC=CC1CCC(C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-4-hexa-1,5-dienylcyclohexane?
The InChIKey is PMGZLORCOBGPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30/c1-2-3-4-6-9-16-12-14-18(15-13-16)17-10-7-5-8-11-17/h2,6,9,16-18H,1,3-5,7-8,10-15H2.
What are the key properties of 1-cyclohexyl-4-hexa-1,5-dienylcyclohexane?
1-cyclohexyl-4-hexa-1,5-dienylcyclohexane has a molecular weight of 246.44 g/mol, XLogP of 5.90, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-hexa-1,5-dienylcyclohexane is sourced from PubChem (CID 57115244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).