cis-(1R,2R)-2-[5-[(3S)-3-(cyclohexen-1-yl)cyclohexyl]cyclohexen-1-yl]cyclohexan-1-ol

C24H38O — CID 166972270

IUPACcis-(1R,2R)-2-[5-[(3S)-3-(cyclohexen-1-yl)cyclohexyl]cyclohexen-1-yl]cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@@H]1C1=CCCC(C2CCC[C@H](C3=CCCCC3)C2)C1
InChIInChI=1S/C24H38O/c25-24-15-5-4-14-23(24)22-13-7-12-21(17-22)20-11-6-10-19(16-20)18-8-2-1-3-9-18/h8,13,19-21,23-25H,1-7,9-12,14-17H2/t19-,20?,21?,23+,24+/m0/s1
InChIKeyJSWVFLMUGQUQKE-VKDALRDQSA-N
MW342.57 g/mol
LogP6.57
Rot. Bonds3

About cis-(1R,2R)-2-[5-[(3S)-3-(cyclohexen-1-yl)cyclohexyl]cyclohexen-1-yl]cyclohexan-1-ol

cis-(1R,2R)-2-[5-[(3S)-3-(cyclohexen-1-yl)cyclohexyl]cyclohexen-1-yl]cyclohexan-1-ol (PubChem CID 166972270) has the molecular formula C24H38O and a molecular weight of 342.57 g/mol. Its IUPAC name is cis-(1R,2R)-2-[5-[(3S)-3-(cyclohexen-1-yl)cyclohexyl]cyclohexen-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,2R)-2-[5-[(3S)-3-(cyclohexen-1-yl)cyclohexyl]cyclohexen-1-yl]cyclohexan-1-ol
PubChem CID166972270
Molecular FormulaC24H38O
Molecular Weight342.57 g/mol
Exact Mass342.29
IUPAC Namecis-(1R,2R)-2-[5-[(3S)-3-(cyclohexen-1-yl)cyclohexyl]cyclohexen-1-yl]cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@@H]1C1=CCCC(C2CCC[C@H](C3=CCCCC3)C2)C1
InChIInChI=1S/C24H38O/c25-24-15-5-4-14-23(24)22-13-7-12-21(17-22)20-11-6-10-19(16-20)18-8-2-1-3-9-18/h8,13,19-21,23-25H,1-7,9-12,14-17H2/t19-,20?,21?,23+,24+/m0/s1
InChIKeyJSWVFLMUGQUQKE-VKDALRDQSA-N
XLogP6.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.57
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze cis-(1R,2R)-2-[5-[(3S)-3-(cyclohexen-1-yl)cyclohexyl]cyclohexen-1-yl]cyclohexan-1-ol with MolForge

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Related Compounds

1,2,3,5,6,7,8,8a-octahydronaphthalen-1-ol
CID 78062967
(1S,8aR)-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-ol
CID 101144558
(1E)-1-cyclohexylcyclododecene
CID 139760943
(1E)-1-cyclohexylcyclodecene
CID 139760930
trans-(1S,2R)-2-(cyclohexen-1-yl)cyclobutan-1-ol
CID 12692992
7-(cyclohexen-1-yl)bicyclo[4.2.0]oct-1-ene
CID 589378
(1E)-1-[2-[(1E)-cyclododecen-1-yl]cyclopentyl]cyclododecene
CID 141390482
1,2,3,3a,4,5-hexahydropentalene
CID 13058233
4-(cyclohexen-1-yl)cyclohexan-1-amine
CID 146223069
1-cyclobutylcyclobutene
CID 556361
(1S,6aS)-1,2,3,5,6,6a-hexahydropentalen-1-ol
CID 92842902
(1Z)-bicyclo[6.1.0]non-1-ene
CID 5367451

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-[5-[(3S)-3-(cyclohexen-1-yl)cyclohexyl]cyclohexen-1-yl]cyclohexan-1-ol?
The IUPAC name of cis-(1R,2R)-2-[5-[(3S)-3-(cyclohexen-1-yl)cyclohexyl]cyclohexen-1-yl]cyclohexan-1-ol (CID 166972270) is cis-(1R,2R)-2-[5-[(3S)-3-(cyclohexen-1-yl)cyclohexyl]cyclohexen-1-yl]cyclohexan-1-ol.
What is the SMILES notation for cis-(1R,2R)-2-[5-[(3S)-3-(cyclohexen-1-yl)cyclohexyl]cyclohexen-1-yl]cyclohexan-1-ol?
The canonical SMILES for cis-(1R,2R)-2-[5-[(3S)-3-(cyclohexen-1-yl)cyclohexyl]cyclohexen-1-yl]cyclohexan-1-ol is O[C@@H]1CCCC[C@@H]1C1=CCCC(C2CCC[C@H](C3=CCCCC3)C2)C1.
What is the InChIKey of cis-(1R,2R)-2-[5-[(3S)-3-(cyclohexen-1-yl)cyclohexyl]cyclohexen-1-yl]cyclohexan-1-ol?
The InChIKey is JSWVFLMUGQUQKE-VKDALRDQSA-N. The full InChI is InChI=1S/C24H38O/c25-24-15-5-4-14-23(24)22-13-7-12-21(17-22)20-11-6-10-19(16-20)18-8-2-1-3-9-18/h8,13,19-21,23-25H,1-7,9-12,14-17H2/t19-,20?,21?,23+,24+/m0/s1.
What are the key properties of cis-(1R,2R)-2-[5-[(3S)-3-(cyclohexen-1-yl)cyclohexyl]cyclohexen-1-yl]cyclohexan-1-ol?
cis-(1R,2R)-2-[5-[(3S)-3-(cyclohexen-1-yl)cyclohexyl]cyclohexen-1-yl]cyclohexan-1-ol has a molecular weight of 342.57 g/mol, XLogP of 6.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-[5-[(3S)-3-(cyclohexen-1-yl)cyclohexyl]cyclohexen-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 166972270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).