[(2R)-6-[dimethyl(phenyl)silyl]-2-(hydroxymethyl)hex-5-ynyl] acetate

C17H24O3Si — CID 11088040

IUPAC[(2R)-6-[dimethyl(phenyl)silyl]-2-(hydroxymethyl)hex-5-ynyl] acetate
SMILESCC(=O)OC[C@@H](CO)CCC#C[Si](C)(C)c1ccccc1
InChIInChI=1S/C17H24O3Si/c1-15(19)20-14-16(13-18)9-7-8-12-21(2,3)17-10-5-4-6-11-17/h4-6,10-11,16,18H,7,9,13-14H2,1-3H3/t16-/m1/s1
InChIKeyLUGMJNCGQWYXMV-MRXNPFEDSA-N
MW304.46 g/mol
LogP2.10
Rot. Bonds6

About [(2R)-6-[dimethyl(phenyl)silyl]-2-(hydroxymethyl)hex-5-ynyl] acetate

[(2R)-6-[dimethyl(phenyl)silyl]-2-(hydroxymethyl)hex-5-ynyl] acetate (PubChem CID 11088040) has the molecular formula C17H24O3Si and a molecular weight of 304.46 g/mol. Its IUPAC name is [(2R)-6-[dimethyl(phenyl)silyl]-2-(hydroxymethyl)hex-5-ynyl] acetate.

Molecular Properties

Compound Name[(2R)-6-[dimethyl(phenyl)silyl]-2-(hydroxymethyl)hex-5-ynyl] acetate
PubChem CID11088040
Molecular FormulaC17H24O3Si
Molecular Weight304.46 g/mol
Exact Mass304.15
IUPAC Name[(2R)-6-[dimethyl(phenyl)silyl]-2-(hydroxymethyl)hex-5-ynyl] acetate
SMILESCC(=O)OC[C@@H](CO)CCC#C[Si](C)(C)c1ccccc1
InChIInChI=1S/C17H24O3Si/c1-15(19)20-14-16(13-18)9-7-8-12-21(2,3)17-10-5-4-6-11-17/h4-6,10-11,16,18H,7,9,13-14H2,1-3H3/t16-/m1/s1
InChIKeyLUGMJNCGQWYXMV-MRXNPFEDSA-N
XLogP2.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-5-(benzylamino)-2-(hydroxymethyl)-5-oxopentyl] acetate
CID 132547742
[2-(acetyloxymethyl)-4-hydroxybutyl] acetate
CID 10176610
3-methoxyprop-1-ynyl-dimethyl-phenylsilane
CID 140704450
(hydroxymethyl-methyl-phenylsilyl)methyl acetate
CID 102492893
dimethyl-oct-1-ynyl-phenylsilane
CID 13357120
[5-hydroxy-2-(2-phenylethyl)pentyl] acetate
CID 139794591
3-iodoprop-1-ynyl-dimethyl-phenylsilane
CID 164685330
3-(acetyloxymethyl)-4-hydroxybutanoic acid
CID 87535769
[(2S)-2-(hydroxymethyl)butyl] acetate
CID 58892806
carbamic acid;(3-hydroxy-2-phenylpropyl) acetate
CID 67572448
[(2R)-2-[(4-tert-butylphenyl)methyl]-3-hydroxypropyl] acetate
CID 11832292
[(2S)-2-phenylpropyl] acetate
CID 10261650

Frequently Asked Questions

What is the IUPAC name of [(2R)-6-[dimethyl(phenyl)silyl]-2-(hydroxymethyl)hex-5-ynyl] acetate?
The IUPAC name of [(2R)-6-[dimethyl(phenyl)silyl]-2-(hydroxymethyl)hex-5-ynyl] acetate (CID 11088040) is [(2R)-6-[dimethyl(phenyl)silyl]-2-(hydroxymethyl)hex-5-ynyl] acetate.
What is the SMILES notation for [(2R)-6-[dimethyl(phenyl)silyl]-2-(hydroxymethyl)hex-5-ynyl] acetate?
The canonical SMILES for [(2R)-6-[dimethyl(phenyl)silyl]-2-(hydroxymethyl)hex-5-ynyl] acetate is CC(=O)OC[C@@H](CO)CCC#C[Si](C)(C)c1ccccc1.
What is the InChIKey of [(2R)-6-[dimethyl(phenyl)silyl]-2-(hydroxymethyl)hex-5-ynyl] acetate?
The InChIKey is LUGMJNCGQWYXMV-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H24O3Si/c1-15(19)20-14-16(13-18)9-7-8-12-21(2,3)17-10-5-4-6-11-17/h4-6,10-11,16,18H,7,9,13-14H2,1-3H3/t16-/m1/s1.
What are the key properties of [(2R)-6-[dimethyl(phenyl)silyl]-2-(hydroxymethyl)hex-5-ynyl] acetate?
[(2R)-6-[dimethyl(phenyl)silyl]-2-(hydroxymethyl)hex-5-ynyl] acetate has a molecular weight of 304.46 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-6-[dimethyl(phenyl)silyl]-2-(hydroxymethyl)hex-5-ynyl] acetate is sourced from PubChem (CID 11088040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).