[(Z)-5-cyclohexyl-2,3-dimethyloct-3-enyl]cyclohexane

C22H40 — CID 142844880

IUPAC[(Z)-5-cyclohexyl-2,3-dimethyloct-3-enyl]cyclohexane
SMILESCCCC(/C=C(/C)C(C)CC1CCCCC1)C1CCCCC1
InChIInChI=1S/C22H40/c1-4-11-22(21-14-9-6-10-15-21)17-19(3)18(2)16-20-12-7-5-8-13-20/h17-18,20-22H,4-16H2,1-3H3/b19-17-
InChIKeyKKCNDSCNNXADDQ-ZPHPHTNESA-N
MW304.56 g/mol
LogP7.54
Rot. Bonds7

About [(Z)-5-cyclohexyl-2,3-dimethyloct-3-enyl]cyclohexane

[(Z)-5-cyclohexyl-2,3-dimethyloct-3-enyl]cyclohexane (PubChem CID 142844880) has the molecular formula C22H40 and a molecular weight of 304.56 g/mol. Its IUPAC name is [(Z)-5-cyclohexyl-2,3-dimethyloct-3-enyl]cyclohexane.

Molecular Properties

Compound Name[(Z)-5-cyclohexyl-2,3-dimethyloct-3-enyl]cyclohexane
PubChem CID142844880
Molecular FormulaC22H40
Molecular Weight304.56 g/mol
Exact Mass304.31
IUPAC Name[(Z)-5-cyclohexyl-2,3-dimethyloct-3-enyl]cyclohexane
SMILESCCCC(/C=C(/C)C(C)CC1CCCCC1)C1CCCCC1
InChIInChI=1S/C22H40/c1-4-11-22(21-14-9-6-10-15-21)17-19(3)18(2)16-20-12-7-5-8-13-20/h17-18,20-22H,4-16H2,1-3H3/b19-17-
InChIKeyKKCNDSCNNXADDQ-ZPHPHTNESA-N
XLogP7.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.56
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(Z)-5-cyclohexyl-2,3-dimethyloct-3-enyl]cyclohexane with MolForge

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

Launch Full Analysis

Related Compounds

[(E)-4-cyclohexylhex-2-en-2-yl]oxy-trimethylsilane
CID 24755885
1-cyclopentylpropan-2-ylcyclopentane
CID 57131610
7-cyclohexyloctan-4-ol
CID 66612590
butane;pentan-2-ylcyclohexane
CID 143682251
ethane;pentan-2-ylcyclohexane
CID 143225886
1-cycloheptyloctan-2-ol
CID 115783533
1-cycloheptyl-N-ethyl-3-methylbut-3-en-2-amine
CID 105005423
1-cycloheptyl-N,3-dimethylhexan-2-amine
CID 107893929
1-cyclobutyl-3-methylhexan-2-ol
CID 115802415
bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane
CID 159474199
[(2R)-3-methylhexan-2-yl]cyclopentane
CID 163746154
2-propylpentylcyclobutane
CID 123848725

Frequently Asked Questions

What is the IUPAC name of [(Z)-5-cyclohexyl-2,3-dimethyloct-3-enyl]cyclohexane?
The IUPAC name of [(Z)-5-cyclohexyl-2,3-dimethyloct-3-enyl]cyclohexane (CID 142844880) is [(Z)-5-cyclohexyl-2,3-dimethyloct-3-enyl]cyclohexane.
What is the SMILES notation for [(Z)-5-cyclohexyl-2,3-dimethyloct-3-enyl]cyclohexane?
The canonical SMILES for [(Z)-5-cyclohexyl-2,3-dimethyloct-3-enyl]cyclohexane is CCCC(/C=C(/C)C(C)CC1CCCCC1)C1CCCCC1.
What is the InChIKey of [(Z)-5-cyclohexyl-2,3-dimethyloct-3-enyl]cyclohexane?
The InChIKey is KKCNDSCNNXADDQ-ZPHPHTNESA-N. The full InChI is InChI=1S/C22H40/c1-4-11-22(21-14-9-6-10-15-21)17-19(3)18(2)16-20-12-7-5-8-13-20/h17-18,20-22H,4-16H2,1-3H3/b19-17-.
What are the key properties of [(Z)-5-cyclohexyl-2,3-dimethyloct-3-enyl]cyclohexane?
[(Z)-5-cyclohexyl-2,3-dimethyloct-3-enyl]cyclohexane has a molecular weight of 304.56 g/mol, XLogP of 7.54, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-5-cyclohexyl-2,3-dimethyloct-3-enyl]cyclohexane is sourced from PubChem (CID 142844880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).