[(2S,4S)-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate

C17H32O4Si — CID 102190482

IUPAC[(2S,4S)-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate
SMILESCC(=O)O[C@@H]1C=CO[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)C1
InChIInChI=1S/C17H32O4Si/c1-12(2)22(13(3)4,14(5)6)20-11-17-10-16(8-9-19-17)21-15(7)18/h8-9,12-14,16-17H,10-11H2,1-7H3/t16-,17+/m1/s1
InChIKeyITQZRCLAFDLQIA-SJORKVTESA-N
MW328.53 g/mol
LogP4.41
Rot. Bonds7

About [(2S,4S)-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate

[(2S,4S)-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate (PubChem CID 102190482) has the molecular formula C17H32O4Si and a molecular weight of 328.53 g/mol. Its IUPAC name is [(2S,4S)-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate.

Molecular Properties

Compound Name[(2S,4S)-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate
PubChem CID102190482
Molecular FormulaC17H32O4Si
Molecular Weight328.53 g/mol
Exact Mass328.21
IUPAC Name[(2S,4S)-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate
SMILESCC(=O)O[C@@H]1C=CO[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)C1
InChIInChI=1S/C17H32O4Si/c1-12(2)22(13(3)4,14(5)6)20-11-17-10-16(8-9-19-17)21-15(7)18/h8-9,12-14,16-17H,10-11H2,1-7H3/t16-,17+/m1/s1
InChIKeyITQZRCLAFDLQIA-SJORKVTESA-N
XLogP4.41
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.53
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3R,4R)-3-acetyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate
CID 16213682
3,4-di-acetyl-6-O-(tert-butyldimethylsilyl)-D-Galactal
CID 10450207
D-arabino-Hex-1-enitol, 1,5-anhydro-2-deoxy-6-O-[(1,1-dimethylethyl)dimethylsilyl]-, 3,4-diacetate
CID 11405211
[(2R,3S,4R)-4-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate
CID 10450206
[(4aR,8R,8aS)-2,2-ditert-butyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl] acetate
CID 11348035
3,4-Di-O-acetyl-6-O-(triisopropylsilyl)-D-glucal
CID 11731809
(2,2-Ditert-butyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl) acetate
CID 72811302
[(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-3-yl] acetate
CID 91434141
[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate
CID 134875305
[(4aR,8R,8aS)-2,2-ditert-butyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl] 2,2-dimethylpropanoate
CID 135033709
[(2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2S)-2-methylbutanoyl]oxy-3,4-dihydro-2H-pyran-4-yl] (2S)-2-methylbutanoate
CID 11430301
[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl] acetate
CID 101338436

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate?
The IUPAC name of [(2S,4S)-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate (CID 102190482) is [(2S,4S)-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate.
What is the SMILES notation for [(2S,4S)-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate?
The canonical SMILES for [(2S,4S)-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate is CC(=O)O[C@@H]1C=CO[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)C1.
What is the InChIKey of [(2S,4S)-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate?
The InChIKey is ITQZRCLAFDLQIA-SJORKVTESA-N. The full InChI is InChI=1S/C17H32O4Si/c1-12(2)22(13(3)4,14(5)6)20-11-17-10-16(8-9-19-17)21-15(7)18/h8-9,12-14,16-17H,10-11H2,1-7H3/t16-,17+/m1/s1.
What are the key properties of [(2S,4S)-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate?
[(2S,4S)-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate has a molecular weight of 328.53 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate is sourced from PubChem (CID 102190482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).