(1S,2R)-1-cyclohexyl-4-trimethylsilylbut-3-yne-1,2-diol

C13H24O2Si — CID 11608416

IUPAC(1S,2R)-1-cyclohexyl-4-trimethylsilylbut-3-yne-1,2-diol
SMILESC[Si](C)(C)C#C[C@@H](O)[C@@H](O)C1CCCCC1
InChIInChI=1S/C13H24O2Si/c1-16(2,3)10-9-12(14)13(15)11-7-5-4-6-8-11/h11-15H,4-8H2,1-3H3/t12-,13+/m1/s1
InChIKeyULGZSYFKHXDCRA-OLZOCXBDSA-N
MW240.42 g/mol
LogP2.17
Rot. Bonds2

About (1S,2R)-1-cyclohexyl-4-trimethylsilylbut-3-yne-1,2-diol

(1S,2R)-1-cyclohexyl-4-trimethylsilylbut-3-yne-1,2-diol (PubChem CID 11608416) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is (1S,2R)-1-cyclohexyl-4-trimethylsilylbut-3-yne-1,2-diol.

Molecular Properties

Compound Name(1S,2R)-1-cyclohexyl-4-trimethylsilylbut-3-yne-1,2-diol
PubChem CID11608416
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Name(1S,2R)-1-cyclohexyl-4-trimethylsilylbut-3-yne-1,2-diol
SMILESC[Si](C)(C)C#C[C@@H](O)[C@@H](O)C1CCCCC1
InChIInChI=1S/C13H24O2Si/c1-16(2,3)10-9-12(14)13(15)11-7-5-4-6-8-11/h11-15H,4-8H2,1-3H3/t12-,13+/m1/s1
InChIKeyULGZSYFKHXDCRA-OLZOCXBDSA-N
XLogP2.17
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,2R)-1-cyclohexyl-4-trimethylsilylbut-3-yne-1,2-diol with MolForge

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Related Compounds

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CID 122187217
(6R,7S)-1-cyclohexylocta-2,4-diyne-1,6,7-triol
CID 53317969
alpha-(3-(Trimethylsilyl)-2-propyn-1-yl)cyclohexanemethanol
CID 10867955
(1R)-1-cyclohexyl-3-triethylsilylprop-2-yn-1-ol
CID 10125283
(1S)-1-cyclohexyl-3-trimethylsilylprop-2-yn-1-ol
CID 10536456
alpha-[2-(Trimethylsilyl)ethynyl]cyclohexanemethanol
CID 14026558
(1R,2S)-1-cyclohexyl-2-methyl-4-trimethylsilylbut-3-yn-1-ol
CID 10561949
(3S,4R)-3-methyl-1-trimethylsilyldec-1-yn-4-ol
CID 10657710
(1R)-1-cyclohexyl-3-trimethylsilylprop-2-yn-1-ol
CID 10846153
(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbut-2-yn-1-ol
CID 11346596
(1R)-1-cyclohexyl-4-trimethylsilylbut-3-yn-1-ol
CID 11673033
1-Cyclohexyl-3-trimethylsilylpropane-1,3-diol
CID 12193386

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-cyclohexyl-4-trimethylsilylbut-3-yne-1,2-diol?
The IUPAC name of (1S,2R)-1-cyclohexyl-4-trimethylsilylbut-3-yne-1,2-diol (CID 11608416) is (1S,2R)-1-cyclohexyl-4-trimethylsilylbut-3-yne-1,2-diol.
What is the SMILES notation for (1S,2R)-1-cyclohexyl-4-trimethylsilylbut-3-yne-1,2-diol?
The canonical SMILES for (1S,2R)-1-cyclohexyl-4-trimethylsilylbut-3-yne-1,2-diol is C[Si](C)(C)C#C[C@@H](O)[C@@H](O)C1CCCCC1.
What is the InChIKey of (1S,2R)-1-cyclohexyl-4-trimethylsilylbut-3-yne-1,2-diol?
The InChIKey is ULGZSYFKHXDCRA-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-16(2,3)10-9-12(14)13(15)11-7-5-4-6-8-11/h11-15H,4-8H2,1-3H3/t12-,13+/m1/s1.
What are the key properties of (1S,2R)-1-cyclohexyl-4-trimethylsilylbut-3-yne-1,2-diol?
(1S,2R)-1-cyclohexyl-4-trimethylsilylbut-3-yne-1,2-diol has a molecular weight of 240.42 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-cyclohexyl-4-trimethylsilylbut-3-yne-1,2-diol is sourced from PubChem (CID 11608416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).