(3S)-2-methyl-3-(2-trimethylsilylethoxymethoxy)-3,4-dihydro-2H-pyran-4-ol

C12H24O4Si — CID 134855216

IUPAC(3S)-2-methyl-3-(2-trimethylsilylethoxymethoxy)-3,4-dihydro-2H-pyran-4-ol
SMILESCC1OC=CC(O)[C@@H]1OCOCC[Si](C)(C)C
InChIInChI=1S/C12H24O4Si/c1-10-12(11(13)5-6-15-10)16-9-14-7-8-17(2,3)4/h5-6,10-13H,7-9H2,1-4H3/t10?,11?,12-/m1/s1
InChIKeyKMAAHNVJKKULQQ-HTAVTVPLSA-N
MW260.41 g/mol
LogP1.98
Rot. Bonds6

About (3S)-2-methyl-3-(2-trimethylsilylethoxymethoxy)-3,4-dihydro-2H-pyran-4-ol

(3S)-2-methyl-3-(2-trimethylsilylethoxymethoxy)-3,4-dihydro-2H-pyran-4-ol (PubChem CID 134855216) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is (3S)-2-methyl-3-(2-trimethylsilylethoxymethoxy)-3,4-dihydro-2H-pyran-4-ol.

Molecular Properties

Compound Name(3S)-2-methyl-3-(2-trimethylsilylethoxymethoxy)-3,4-dihydro-2H-pyran-4-ol
PubChem CID134855216
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Name(3S)-2-methyl-3-(2-trimethylsilylethoxymethoxy)-3,4-dihydro-2H-pyran-4-ol
SMILESCC1OC=CC(O)[C@@H]1OCOCC[Si](C)(C)C
InChIInChI=1S/C12H24O4Si/c1-10-12(11(13)5-6-15-10)16-9-14-7-8-17(2,3)4/h5-6,10-13H,7-9H2,1-4H3/t10?,11?,12-/m1/s1
InChIKeyKMAAHNVJKKULQQ-HTAVTVPLSA-N
XLogP1.98
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

6-O-(Triisopropylsilyl)-D-glucal
CID 10614345
(2S,3R,4S)-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3,4-diol
CID 10804352
6-O-(tert-Butyldimethylsilyl)-D-glucal
CID 11021628
6-O-(Triisopropylsilyl)-D-galactal
CID 10859624
(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-ol
CID 53764004
(3R)-2-methyl-4-(2-trimethylsilylethoxymethoxy)-3,4-dihydro-2H-pyran-3-ol
CID 134971279
(2R,3R)-2-(((tert-butyldimethylsilyl)oxy)methyl)-3,4-dihydro-2H-pyran-3,4-diol
CID 166177058
(2S,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-ol
CID 10657969
6-O-Triisopropylsilyl-D-glucal
CID 3393782
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3,4-diol
CID 4550716
(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-4-ol
CID 22859287
(3S)-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3,4-diol
CID 54418268

Frequently Asked Questions

What is the IUPAC name of (3S)-2-methyl-3-(2-trimethylsilylethoxymethoxy)-3,4-dihydro-2H-pyran-4-ol?
The IUPAC name of (3S)-2-methyl-3-(2-trimethylsilylethoxymethoxy)-3,4-dihydro-2H-pyran-4-ol (CID 134855216) is (3S)-2-methyl-3-(2-trimethylsilylethoxymethoxy)-3,4-dihydro-2H-pyran-4-ol.
What is the SMILES notation for (3S)-2-methyl-3-(2-trimethylsilylethoxymethoxy)-3,4-dihydro-2H-pyran-4-ol?
The canonical SMILES for (3S)-2-methyl-3-(2-trimethylsilylethoxymethoxy)-3,4-dihydro-2H-pyran-4-ol is CC1OC=CC(O)[C@@H]1OCOCC[Si](C)(C)C.
What is the InChIKey of (3S)-2-methyl-3-(2-trimethylsilylethoxymethoxy)-3,4-dihydro-2H-pyran-4-ol?
The InChIKey is KMAAHNVJKKULQQ-HTAVTVPLSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-10-12(11(13)5-6-15-10)16-9-14-7-8-17(2,3)4/h5-6,10-13H,7-9H2,1-4H3/t10?,11?,12-/m1/s1.
What are the key properties of (3S)-2-methyl-3-(2-trimethylsilylethoxymethoxy)-3,4-dihydro-2H-pyran-4-ol?
(3S)-2-methyl-3-(2-trimethylsilylethoxymethoxy)-3,4-dihydro-2H-pyran-4-ol has a molecular weight of 260.41 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-methyl-3-(2-trimethylsilylethoxymethoxy)-3,4-dihydro-2H-pyran-4-ol is sourced from PubChem (CID 134855216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).