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

C14H28O3Si — CID 134972528

IUPACtert-butyl-[[(2S)-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
SMILESCCOC1C=CC[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C14H28O3Si/c1-7-15-13-10-8-9-12(17-13)11-16-18(5,6)14(2,3)4/h8,10,12-13H,7,9,11H2,1-6H3/t12-,13?/m0/s1
InChIKeyPXOMXHWUVAWOHA-UEWDXFNNSA-N
MW272.46 g/mol
LogP3.72
Rot. Bonds5

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

tert-butyl-[[(2S)-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane (PubChem CID 134972528) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is tert-butyl-[[(2S)-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2S)-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
PubChem CID134972528
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Nametert-butyl-[[(2S)-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
SMILESCCOC1C=CC[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C14H28O3Si/c1-7-15-13-10-8-9-12(17-13)11-16-18(5,6)14(2,3)4/h8,10,12-13H,7,9,11H2,1-6H3/t12-,13?/m0/s1
InChIKeyPXOMXHWUVAWOHA-UEWDXFNNSA-N
XLogP3.72
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.72
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-[[(2S)-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(2S)-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane (CID 134972528) is tert-butyl-[[(2S)-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(2S)-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(2S)-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane is CCOC1C=CC[C@@H](CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of tert-butyl-[[(2S)-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane?
The InChIKey is PXOMXHWUVAWOHA-UEWDXFNNSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-7-15-13-10-8-9-12(17-13)11-16-18(5,6)14(2,3)4/h8,10,12-13H,7,9,11H2,1-6H3/t12-,13?/m0/s1.
What are the key properties of tert-butyl-[[(2S)-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane?
tert-butyl-[[(2S)-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane has a molecular weight of 272.46 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2S)-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 134972528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).