[(1R,4S)-4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] acetate

C16H30O3Si — CID 10518215

IUPAC[(1R,4S)-4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] acetate
SMILESCC(=O)O[C@H]1C=C[C@@H](CO[Si](C)(C)C(C)(C)C(C)C)C1
InChIInChI=1S/C16H30O3Si/c1-12(2)16(4,5)20(6,7)18-11-14-8-9-15(10-14)19-13(3)17/h8-9,12,14-15H,10-11H2,1-7H3/t14-,15+/m1/s1
InChIKeyGVZFWCQZGRGSHQ-CABCVRRESA-N
MW298.50 g/mol
LogP4.15
Rot. Bonds6

About [(1R,4S)-4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] acetate

[(1R,4S)-4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] acetate (PubChem CID 10518215) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is [(1R,4S)-4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] acetate.

Molecular Properties

Compound Name[(1R,4S)-4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] acetate
PubChem CID10518215
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Name[(1R,4S)-4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] acetate
SMILESCC(=O)O[C@H]1C=C[C@@H](CO[Si](C)(C)C(C)(C)C(C)C)C1
InChIInChI=1S/C16H30O3Si/c1-12(2)16(4,5)20(6,7)18-11-14-8-9-15(10-14)19-13(3)17/h8-9,12,14-15H,10-11H2,1-7H3/t14-,15+/m1/s1
InChIKeyGVZFWCQZGRGSHQ-CABCVRRESA-N
XLogP4.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R,4S)-4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] acetate?
The IUPAC name of [(1R,4S)-4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] acetate (CID 10518215) is [(1R,4S)-4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] acetate.
What is the SMILES notation for [(1R,4S)-4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] acetate?
The canonical SMILES for [(1R,4S)-4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] acetate is CC(=O)O[C@H]1C=C[C@@H](CO[Si](C)(C)C(C)(C)C(C)C)C1.
What is the InChIKey of [(1R,4S)-4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] acetate?
The InChIKey is GVZFWCQZGRGSHQ-CABCVRRESA-N. The full InChI is InChI=1S/C16H30O3Si/c1-12(2)16(4,5)20(6,7)18-11-14-8-9-15(10-14)19-13(3)17/h8-9,12,14-15H,10-11H2,1-7H3/t14-,15+/m1/s1.
What are the key properties of [(1R,4S)-4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] acetate?
[(1R,4S)-4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] acetate has a molecular weight of 298.50 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] acetate is sourced from PubChem (CID 10518215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).