[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-trimethylsilylprop-2-ynyl] acetate

C13H22O4Si — CID 10945518

IUPAC[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-trimethylsilylprop-2-ynyl] acetate
SMILESCC(=O)O[C@H](C#C[Si](C)(C)C)[C@H]1COC(C)(C)O1
InChIInChI=1S/C13H22O4Si/c1-10(14)16-11(7-8-18(4,5)6)12-9-15-13(2,3)17-12/h11-12H,9H2,1-6H3/t11-,12-/m1/s1
InChIKeyZWJOEZLRAYMDQH-VXGBXAGGSA-N
MW270.40 g/mol
LogP1.95
Rot. Bonds2

About [(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-trimethylsilylprop-2-ynyl] acetate

[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-trimethylsilylprop-2-ynyl] acetate (PubChem CID 10945518) has the molecular formula C13H22O4Si and a molecular weight of 270.40 g/mol. Its IUPAC name is [(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-trimethylsilylprop-2-ynyl] acetate.

Molecular Properties

Compound Name[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-trimethylsilylprop-2-ynyl] acetate
PubChem CID10945518
Molecular FormulaC13H22O4Si
Molecular Weight270.40 g/mol
Exact Mass270.13
IUPAC Name[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-trimethylsilylprop-2-ynyl] acetate
SMILESCC(=O)O[C@H](C#C[Si](C)(C)C)[C@H]1COC(C)(C)O1
InChIInChI=1S/C13H22O4Si/c1-10(14)16-11(7-8-18(4,5)6)12-9-15-13(2,3)17-12/h11-12H,9H2,1-6H3/t11-,12-/m1/s1
InChIKeyZWJOEZLRAYMDQH-VXGBXAGGSA-N
XLogP1.95
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-trimethylsilylprop-2-ynyl] acetate?
The IUPAC name of [(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-trimethylsilylprop-2-ynyl] acetate (CID 10945518) is [(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-trimethylsilylprop-2-ynyl] acetate.
What is the SMILES notation for [(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-trimethylsilylprop-2-ynyl] acetate?
The canonical SMILES for [(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-trimethylsilylprop-2-ynyl] acetate is CC(=O)O[C@H](C#C[Si](C)(C)C)[C@H]1COC(C)(C)O1.
What is the InChIKey of [(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-trimethylsilylprop-2-ynyl] acetate?
The InChIKey is ZWJOEZLRAYMDQH-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H22O4Si/c1-10(14)16-11(7-8-18(4,5)6)12-9-15-13(2,3)17-12/h11-12H,9H2,1-6H3/t11-,12-/m1/s1.
What are the key properties of [(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-trimethylsilylprop-2-ynyl] acetate?
[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-trimethylsilylprop-2-ynyl] acetate has a molecular weight of 270.40 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-trimethylsilylprop-2-ynyl] acetate is sourced from PubChem (CID 10945518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).