tert-butyl-[[(2S,3S,6S)-6-methoxy-3-propan-2-yl-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane

C16H32O3Si — CID 10380090

IUPACtert-butyl-[[(2S,3S,6S)-6-methoxy-3-propan-2-yl-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
SMILESCO[C@@H]1C=C[C@H](C(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C16H32O3Si/c1-12(2)13-9-10-15(17-6)19-14(13)11-18-20(7,8)16(3,4)5/h9-10,12-15H,11H2,1-8H3/t13-,14-,15+/m1/s1
InChIKeyCHOKBEDVZXMCFG-KFWWJZLASA-N
MW300.51 g/mol
LogP4.21
Rot. Bonds5

About tert-butyl-[[(2S,3S,6S)-6-methoxy-3-propan-2-yl-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane

tert-butyl-[[(2S,3S,6S)-6-methoxy-3-propan-2-yl-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane (PubChem CID 10380090) has the molecular formula C16H32O3Si and a molecular weight of 300.51 g/mol. Its IUPAC name is tert-butyl-[[(2S,3S,6S)-6-methoxy-3-propan-2-yl-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2S,3S,6S)-6-methoxy-3-propan-2-yl-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
PubChem CID10380090
Molecular FormulaC16H32O3Si
Molecular Weight300.51 g/mol
Exact Mass300.21
IUPAC Nametert-butyl-[[(2S,3S,6S)-6-methoxy-3-propan-2-yl-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
SMILESCO[C@@H]1C=C[C@H](C(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C16H32O3Si/c1-12(2)13-9-10-15(17-6)19-14(13)11-18-20(7,8)16(3,4)5/h9-10,12-15H,11H2,1-8H3/t13-,14-,15+/m1/s1
InChIKeyCHOKBEDVZXMCFG-KFWWJZLASA-N
XLogP4.21
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.51
LogP ≤ 54.21
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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Related Compounds

tert-butyl-[[(2R,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 9859945
tert-butyl-[(1S,4R,6R)-4-(methoxymethoxy)-6-(methoxymethyl)cyclohex-2-en-1-yl]oxy-dimethylsilane
CID 12158796
tert-butyl-[(6-methoxy-3,6-dihydro-2H-pyran-2-yl)methoxy]-dimethylsilane
CID 85054611
tert-butyl-[[(2R,6R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 101768460
[(E,2S)-2-methyl-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-3-enoxy]-tri(propan-2-yl)silane
CID 134863672
[(E,2S)-2-methyl-4-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-3-enoxy]-tri(propan-2-yl)silane
CID 134863688
tert-butyl-[(1R,2S)-2-[(E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enyl]cyclopropyl]oxy-dimethylsilane
CID 134970763
tert-butyl-[[(2S)-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 134972528
tert-butyl-[(3S,4E,6E)-5-ethyl-3-methyl-7-[(2S,3S)-3-methyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hepta-4,6-dienoxy]-dimethylsilane
CID 134982503
tert-butyl-[[(3S,6S)-6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 135037525
(-)-(2S,5S)-5-((dimethylthexylsilyloxy)methyl)-2-methoxy-4-vinyl-2,5-dihydrofuran
CID 69886328
[(2S,5S)-3-ethenyl-5-methoxy-2,5-dihydrofuran-2-yl]methoxy-dimethyl-(2-methylpentan-2-yl)silane
CID 69907563

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2S,3S,6S)-6-methoxy-3-propan-2-yl-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(2S,3S,6S)-6-methoxy-3-propan-2-yl-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane (CID 10380090) is tert-butyl-[[(2S,3S,6S)-6-methoxy-3-propan-2-yl-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(2S,3S,6S)-6-methoxy-3-propan-2-yl-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(2S,3S,6S)-6-methoxy-3-propan-2-yl-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane is CO[C@@H]1C=C[C@H](C(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of tert-butyl-[[(2S,3S,6S)-6-methoxy-3-propan-2-yl-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane?
The InChIKey is CHOKBEDVZXMCFG-KFWWJZLASA-N. The full InChI is InChI=1S/C16H32O3Si/c1-12(2)13-9-10-15(17-6)19-14(13)11-18-20(7,8)16(3,4)5/h9-10,12-15H,11H2,1-8H3/t13-,14-,15+/m1/s1.
What are the key properties of tert-butyl-[[(2S,3S,6S)-6-methoxy-3-propan-2-yl-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane?
tert-butyl-[[(2S,3S,6S)-6-methoxy-3-propan-2-yl-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane has a molecular weight of 300.51 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2S,3S,6S)-6-methoxy-3-propan-2-yl-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 10380090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).