[(E)-4-cyclohexylhex-3-en-1,5-diyn-3-yl]cyclohexane

C18H24 — CID 100967835

IUPAC[(E)-4-cyclohexylhex-3-en-1,5-diyn-3-yl]cyclohexane
SMILESC#C/C(=C(/C#C)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H24/c1-3-17(15-11-7-5-8-12-15)18(4-2)16-13-9-6-10-14-16/h1-2,15-16H,5-14H2/b18-17+
InChIKeyJQKMGHVRUAGBLJ-ISLYRVAYSA-N
MW240.39 g/mol
LogP4.71
Rot. Bonds2

About [(E)-4-cyclohexylhex-3-en-1,5-diyn-3-yl]cyclohexane

[(E)-4-cyclohexylhex-3-en-1,5-diyn-3-yl]cyclohexane (PubChem CID 100967835) has the molecular formula C18H24 and a molecular weight of 240.39 g/mol. Its IUPAC name is [(E)-4-cyclohexylhex-3-en-1,5-diyn-3-yl]cyclohexane.

Molecular Properties

Compound Name[(E)-4-cyclohexylhex-3-en-1,5-diyn-3-yl]cyclohexane
PubChem CID100967835
Molecular FormulaC18H24
Molecular Weight240.39 g/mol
Exact Mass240.19
IUPAC Name[(E)-4-cyclohexylhex-3-en-1,5-diyn-3-yl]cyclohexane
SMILESC#C/C(=C(/C#C)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H24/c1-3-17(15-11-7-5-8-12-15)18(4-2)16-13-9-6-10-14-16/h1-2,15-16H,5-14H2/b18-17+
InChIKeyJQKMGHVRUAGBLJ-ISLYRVAYSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(E)-4-cyclohexylhex-3-en-1,5-diyn-3-yl]cyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(E)-4-cyclohexylhex-3-en-1,5-diyn-3-yl]cyclohexane?
The IUPAC name of [(E)-4-cyclohexylhex-3-en-1,5-diyn-3-yl]cyclohexane (CID 100967835) is [(E)-4-cyclohexylhex-3-en-1,5-diyn-3-yl]cyclohexane.
What is the SMILES notation for [(E)-4-cyclohexylhex-3-en-1,5-diyn-3-yl]cyclohexane?
The canonical SMILES for [(E)-4-cyclohexylhex-3-en-1,5-diyn-3-yl]cyclohexane is C#C/C(=C(/C#C)C1CCCCC1)C1CCCCC1.
What is the InChIKey of [(E)-4-cyclohexylhex-3-en-1,5-diyn-3-yl]cyclohexane?
The InChIKey is JQKMGHVRUAGBLJ-ISLYRVAYSA-N. The full InChI is InChI=1S/C18H24/c1-3-17(15-11-7-5-8-12-15)18(4-2)16-13-9-6-10-14-16/h1-2,15-16H,5-14H2/b18-17+.
What are the key properties of [(E)-4-cyclohexylhex-3-en-1,5-diyn-3-yl]cyclohexane?
[(E)-4-cyclohexylhex-3-en-1,5-diyn-3-yl]cyclohexane has a molecular weight of 240.39 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-cyclohexylhex-3-en-1,5-diyn-3-yl]cyclohexane is sourced from PubChem (CID 100967835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).