[(1R)-1-cyclohexyl-3-trimethylsilylprop-2-ynyl] acetate

C14H24O2Si — CID 71613022

IUPAC[(1R)-1-cyclohexyl-3-trimethylsilylprop-2-ynyl] acetate
SMILESCC(=O)O[C@@H](C#C[Si](C)(C)C)C1CCCCC1
InChIInChI=1S/C14H24O2Si/c1-12(15)16-14(10-11-17(2,3)4)13-8-6-5-7-9-13/h13-14H,5-9H2,1-4H3/t14-/m0/s1
InChIKeyUHNFVSNECGESIH-AWEZNQCLSA-N
MW252.43 g/mol
LogP3.38
Rot. Bonds2

About [(1R)-1-cyclohexyl-3-trimethylsilylprop-2-ynyl] acetate

[(1R)-1-cyclohexyl-3-trimethylsilylprop-2-ynyl] acetate (PubChem CID 71613022) has the molecular formula C14H24O2Si and a molecular weight of 252.43 g/mol. Its IUPAC name is [(1R)-1-cyclohexyl-3-trimethylsilylprop-2-ynyl] acetate.

Molecular Properties

Compound Name[(1R)-1-cyclohexyl-3-trimethylsilylprop-2-ynyl] acetate
PubChem CID71613022
Molecular FormulaC14H24O2Si
Molecular Weight252.43 g/mol
Exact Mass252.15
IUPAC Name[(1R)-1-cyclohexyl-3-trimethylsilylprop-2-ynyl] acetate
SMILESCC(=O)O[C@@H](C#C[Si](C)(C)C)C1CCCCC1
InChIInChI=1S/C14H24O2Si/c1-12(15)16-14(10-11-17(2,3)4)13-8-6-5-7-9-13/h13-14H,5-9H2,1-4H3/t14-/m0/s1
InChIKeyUHNFVSNECGESIH-AWEZNQCLSA-N
XLogP3.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-cyclohexyl-3-trimethylsilylprop-2-ynyl] acetate?
The IUPAC name of [(1R)-1-cyclohexyl-3-trimethylsilylprop-2-ynyl] acetate (CID 71613022) is [(1R)-1-cyclohexyl-3-trimethylsilylprop-2-ynyl] acetate.
What is the SMILES notation for [(1R)-1-cyclohexyl-3-trimethylsilylprop-2-ynyl] acetate?
The canonical SMILES for [(1R)-1-cyclohexyl-3-trimethylsilylprop-2-ynyl] acetate is CC(=O)O[C@@H](C#C[Si](C)(C)C)C1CCCCC1.
What is the InChIKey of [(1R)-1-cyclohexyl-3-trimethylsilylprop-2-ynyl] acetate?
The InChIKey is UHNFVSNECGESIH-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H24O2Si/c1-12(15)16-14(10-11-17(2,3)4)13-8-6-5-7-9-13/h13-14H,5-9H2,1-4H3/t14-/m0/s1.
What are the key properties of [(1R)-1-cyclohexyl-3-trimethylsilylprop-2-ynyl] acetate?
[(1R)-1-cyclohexyl-3-trimethylsilylprop-2-ynyl] acetate has a molecular weight of 252.43 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-cyclohexyl-3-trimethylsilylprop-2-ynyl] acetate is sourced from PubChem (CID 71613022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).