cis-(1S,2S)-2-but-3-yn-2-yl-1-(cyclohexen-1-yl)cyclopentan-1-ol

C15H22O — CID 102509450

IUPACcis-(1S,2S)-2-but-3-yn-2-yl-1-(cyclohexen-1-yl)cyclopentan-1-ol
SMILESC#CC(C)[C@@H]1CCC[C@@]1(O)C1=CCCCC1
InChIInChI=1S/C15H22O/c1-3-12(2)14-10-7-11-15(14,16)13-8-5-4-6-9-13/h1,8,12,14,16H,4-7,9-11H2,2H3/t12?,14-,15+/m0/s1
InChIKeyGEDHWMLRVLVGEO-JQXSQYPDSA-N
MW218.34 g/mol
LogP3.29
Rot. Bonds2

About cis-(1S,2S)-2-but-3-yn-2-yl-1-(cyclohexen-1-yl)cyclopentan-1-ol

cis-(1S,2S)-2-but-3-yn-2-yl-1-(cyclohexen-1-yl)cyclopentan-1-ol (PubChem CID 102509450) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is cis-(1S,2S)-2-but-3-yn-2-yl-1-(cyclohexen-1-yl)cyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1S,2S)-2-but-3-yn-2-yl-1-(cyclohexen-1-yl)cyclopentan-1-ol
PubChem CID102509450
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Namecis-(1S,2S)-2-but-3-yn-2-yl-1-(cyclohexen-1-yl)cyclopentan-1-ol
SMILESC#CC(C)[C@@H]1CCC[C@@]1(O)C1=CCCCC1
InChIInChI=1S/C15H22O/c1-3-12(2)14-10-7-11-15(14,16)13-8-5-4-6-9-13/h1,8,12,14,16H,4-7,9-11H2,2H3/t12?,14-,15+/m0/s1
InChIKeyGEDHWMLRVLVGEO-JQXSQYPDSA-N
XLogP3.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(cycloocten-1-yl)-2-methylcyclohexan-1-ol
CID 106650767
cis-(1R,2R)-1-(cyclohexen-1-yl)-2-prop-1-en-2-ylcyclohexan-1-ol
CID 101031350
1-(cyclopenten-1-yl)-2-methylcyclohexan-1-ol
CID 66801942
1-(cyclohepten-1-yl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429787
1-(cyclohexen-1-yl)-4,4-dimethylcyclohexan-1-ol
CID 106651138
4-(cyclohexen-1-yl)-1-azabicyclo[3.2.1]octan-4-ol
CID 106651685
3-amino-1-(cyclohexen-1-yl)cyclohexan-1-ol
CID 106651372
1-(cyclohexen-1-yl)-2,4,4-trimethylcyclopentan-1-ol
CID 106663962
1-but-3-yn-2-yl-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol
CID 22121818
3-amino-1-(cycloocten-1-yl)cyclohexan-1-ol
CID 106651371
cyclohexen-1-yl-(2,2-dimethylcyclopentyl)methanol
CID 107181706
4-(cyclohexen-1-yl)-3-ethylpiperidin-4-ol
CID 106651647

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-but-3-yn-2-yl-1-(cyclohexen-1-yl)cyclopentan-1-ol?
The IUPAC name of cis-(1S,2S)-2-but-3-yn-2-yl-1-(cyclohexen-1-yl)cyclopentan-1-ol (CID 102509450) is cis-(1S,2S)-2-but-3-yn-2-yl-1-(cyclohexen-1-yl)cyclopentan-1-ol.
What is the SMILES notation for cis-(1S,2S)-2-but-3-yn-2-yl-1-(cyclohexen-1-yl)cyclopentan-1-ol?
The canonical SMILES for cis-(1S,2S)-2-but-3-yn-2-yl-1-(cyclohexen-1-yl)cyclopentan-1-ol is C#CC(C)[C@@H]1CCC[C@@]1(O)C1=CCCCC1.
What is the InChIKey of cis-(1S,2S)-2-but-3-yn-2-yl-1-(cyclohexen-1-yl)cyclopentan-1-ol?
The InChIKey is GEDHWMLRVLVGEO-JQXSQYPDSA-N. The full InChI is InChI=1S/C15H22O/c1-3-12(2)14-10-7-11-15(14,16)13-8-5-4-6-9-13/h1,8,12,14,16H,4-7,9-11H2,2H3/t12?,14-,15+/m0/s1.
What are the key properties of cis-(1S,2S)-2-but-3-yn-2-yl-1-(cyclohexen-1-yl)cyclopentan-1-ol?
cis-(1S,2S)-2-but-3-yn-2-yl-1-(cyclohexen-1-yl)cyclopentan-1-ol has a molecular weight of 218.34 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-but-3-yn-2-yl-1-(cyclohexen-1-yl)cyclopentan-1-ol is sourced from PubChem (CID 102509450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).