(2R)-3-[(2S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2-methylpropan-1-ol

C17H34O3Si — CID 11232282

IUPAC(2R)-3-[(2S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2-methylpropan-1-ol
SMILESC[C@@H](CO)C[C@@H]1CC=C[C@@H](CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C17H34O3Si/c1-14(13-18)12-16-9-7-8-15(20-16)10-11-19-21(5,6)17(2,3)4/h7-8,14-16,18H,9-13H2,1-6H3/t14-,15+,16+/m1/s1
InChIKeyZAJOFHQNIOBNLP-PMPSAXMXSA-N
MW314.54 g/mol
LogP4.13
Rot. Bonds7

About (2R)-3-[(2S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2-methylpropan-1-ol

(2R)-3-[(2S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2-methylpropan-1-ol (PubChem CID 11232282) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is (2R)-3-[(2S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name(2R)-3-[(2S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2-methylpropan-1-ol
PubChem CID11232282
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Name(2R)-3-[(2S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2-methylpropan-1-ol
SMILESC[C@@H](CO)C[C@@H]1CC=C[C@@H](CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C17H34O3Si/c1-14(13-18)12-16-9-7-8-15(20-16)10-11-19-21(5,6)17(2,3)4/h7-8,14-16,18H,9-13H2,1-6H3/t14-,15+,16+/m1/s1
InChIKeyZAJOFHQNIOBNLP-PMPSAXMXSA-N
XLogP4.13
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.54
LogP ≤ 54.13
H-Bond Donors ≤ 51
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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Related Compounds

2-[(2R,3S,6S)-6-[(E,2R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-3-enyl]-3-methyloxan-2-yl]ethanol
CID 11292059
[(1R,6R)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]methanol
CID 134859641
(Z,1S)-1-[(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]but-2-en-1-ol
CID 164671236
(E,1R)-1-[(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]but-2-en-1-ol
CID 164671237
[(2R,3S,6S)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-3,6-dihydro-2H-pyran-6-yl]methanol
CID 11382298
(3S,4S,6E,9R,10E)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyldodeca-6,10-dien-1-ol
CID 50915854
(1R,4R,5S)-5-(tert-Butyldimethylsilyloxy)-4-(tert-butyldimethylsilyloxymethyl)-cyclohex-2-en-1-ol
CID 10714360
(4S)-5-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentan-1-ol
CID 11111018
(2R,3R,4Z,6R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-2,4,6-trimethyl-3-triethylsilyloxydeca-4,9-dien-1-ol
CID 11785052
tert-butyl-dimethyl-[(2S,3R,5R)-5-methyl-2-[(1E,3E,5E)-nona-1,3,5-trienyl]oxan-3-yl]oxysilane
CID 22848925
tert-butyl-dimethyl-[(2S,3R,5S)-5-methyl-2-[(1E,3E,5E)-nona-1,3,5-trienyl]oxan-3-yl]oxysilane
CID 22848927
tert-butyl-dimethyl-[(2S,3R,5R)-5-methyl-2-nona-1,3,5-trienyloxan-3-yl]oxysilane
CID 57019052

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[(2S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2-methylpropan-1-ol?
The IUPAC name of (2R)-3-[(2S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2-methylpropan-1-ol (CID 11232282) is (2R)-3-[(2S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2-methylpropan-1-ol.
What is the SMILES notation for (2R)-3-[(2S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2-methylpropan-1-ol?
The canonical SMILES for (2R)-3-[(2S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2-methylpropan-1-ol is C[C@@H](CO)C[C@@H]1CC=C[C@@H](CCO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of (2R)-3-[(2S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2-methylpropan-1-ol?
The InChIKey is ZAJOFHQNIOBNLP-PMPSAXMXSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-14(13-18)12-16-9-7-8-15(20-16)10-11-19-21(5,6)17(2,3)4/h7-8,14-16,18H,9-13H2,1-6H3/t14-,15+,16+/m1/s1.
What are the key properties of (2R)-3-[(2S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2-methylpropan-1-ol?
(2R)-3-[(2S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2-methylpropan-1-ol has a molecular weight of 314.54 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[(2S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 11232282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).