(1R,2S)-1-cyclohexyl-2-methylbut-3-yn-1-ol

C11H18O — CID 10678649

IUPAC(1R,2S)-1-cyclohexyl-2-methylbut-3-yn-1-ol
SMILESC#C[C@H](C)[C@H](O)C1CCCCC1
InChIInChI=1S/C11H18O/c1-3-9(2)11(12)10-7-5-4-6-8-10/h1,9-12H,4-8H2,2H3/t9-,11-/m0/s1
InChIKeyGAHZVYKRDVCITG-ONGXEEELSA-N
MW166.26 g/mol
LogP2.20
Rot. Bonds2

About (1R,2S)-1-cyclohexyl-2-methylbut-3-yn-1-ol

(1R,2S)-1-cyclohexyl-2-methylbut-3-yn-1-ol (PubChem CID 10678649) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (1R,2S)-1-cyclohexyl-2-methylbut-3-yn-1-ol.

Molecular Properties

Compound Name(1R,2S)-1-cyclohexyl-2-methylbut-3-yn-1-ol
PubChem CID10678649
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(1R,2S)-1-cyclohexyl-2-methylbut-3-yn-1-ol
SMILESC#C[C@H](C)[C@H](O)C1CCCCC1
InChIInChI=1S/C11H18O/c1-3-9(2)11(12)10-7-5-4-6-8-10/h1,9-12H,4-8H2,2H3/t9-,11-/m0/s1
InChIKeyGAHZVYKRDVCITG-ONGXEEELSA-N
XLogP2.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Cyclohexylethanol
CID 137829
4-Ethyl-3-hydroxy-1-octyne
CID 93012
2-Propylcyclohexan-1-ol
CID 138614
7-Ethyl-2-methyl-4-undecanol
CID 97948
1-Cyclohexyl-1-propanol
CID 86535
alpha-Methylcyclohexanepropanol
CID 112065
4-Pentylcyclohexanol
CID 41076
2-Ethylcyclohexanol
CID 19576
2-Isopropylcyclohexan-1-ol
CID 95331
2-(2-Ethylbutyl)-1-cyclohexanol
CID 246922
Cyclohexanol, 4-(3-methylbutyl)-
CID 18356807
Cyclohexanemethanol, alpha-propyl-
CID 107269

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-cyclohexyl-2-methylbut-3-yn-1-ol?
The IUPAC name of (1R,2S)-1-cyclohexyl-2-methylbut-3-yn-1-ol (CID 10678649) is (1R,2S)-1-cyclohexyl-2-methylbut-3-yn-1-ol.
What is the SMILES notation for (1R,2S)-1-cyclohexyl-2-methylbut-3-yn-1-ol?
The canonical SMILES for (1R,2S)-1-cyclohexyl-2-methylbut-3-yn-1-ol is C#C[C@H](C)[C@H](O)C1CCCCC1.
What is the InChIKey of (1R,2S)-1-cyclohexyl-2-methylbut-3-yn-1-ol?
The InChIKey is GAHZVYKRDVCITG-ONGXEEELSA-N. The full InChI is InChI=1S/C11H18O/c1-3-9(2)11(12)10-7-5-4-6-8-10/h1,9-12H,4-8H2,2H3/t9-,11-/m0/s1.
What are the key properties of (1R,2S)-1-cyclohexyl-2-methylbut-3-yn-1-ol?
(1R,2S)-1-cyclohexyl-2-methylbut-3-yn-1-ol has a molecular weight of 166.26 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-cyclohexyl-2-methylbut-3-yn-1-ol is sourced from PubChem (CID 10678649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).