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

C15H30O3Si — CID 135037525

IUPACtert-butyl-[[(3S,6S)-6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
SMILESCCO[C@@H]1C=C[C@H](C)C(CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C15H30O3Si/c1-8-16-14-10-9-12(2)13(18-14)11-17-19(6,7)15(3,4)5/h9-10,12-14H,8,11H2,1-7H3/t12-,13?,14-/m0/s1
InChIKeyLYHZCAADVOJFPK-HPNRGHHYSA-N
MW286.49 g/mol
LogP3.96
Rot. Bonds5

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

tert-butyl-[[(3S,6S)-6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane (PubChem CID 135037525) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is tert-butyl-[[(3S,6S)-6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(3S,6S)-6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
PubChem CID135037525
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Nametert-butyl-[[(3S,6S)-6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
SMILESCCO[C@@H]1C=C[C@H](C)C(CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C15H30O3Si/c1-8-16-14-10-9-12(2)13(18-14)11-17-19(6,7)15(3,4)5/h9-10,12-14H,8,11H2,1-7H3/t12-,13?,14-/m0/s1
InChIKeyLYHZCAADVOJFPK-HPNRGHHYSA-N
XLogP3.96
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 53.96
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(3S,6S)-6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(3S,6S)-6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane (CID 135037525) is tert-butyl-[[(3S,6S)-6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(3S,6S)-6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(3S,6S)-6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane is CCO[C@@H]1C=C[C@H](C)C(CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of tert-butyl-[[(3S,6S)-6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane?
The InChIKey is LYHZCAADVOJFPK-HPNRGHHYSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-8-16-14-10-9-12(2)13(18-14)11-17-19(6,7)15(3,4)5/h9-10,12-14H,8,11H2,1-7H3/t12-,13?,14-/m0/s1.
What are the key properties of tert-butyl-[[(3S,6S)-6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane?
tert-butyl-[[(3S,6S)-6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane has a molecular weight of 286.49 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(3S,6S)-6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 135037525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).