tert-butyl-[[6-(1,3-dioxolan-2-ylmethyl)-3-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane

C17H32O5Si — CID 68707768

IUPACtert-butyl-[[6-(1,3-dioxolan-2-ylmethyl)-3-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
SMILESCOC1C=CC(CC2OCCO2)OC1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O5Si/c1-17(2,3)23(5,6)21-12-15-14(18-4)8-7-13(22-15)11-16-19-9-10-20-16/h7-8,13-16H,9-12H2,1-6H3
InChIKeyXRPSWNRFORBZRU-UHFFFAOYSA-N
MW344.52 g/mol
LogP3.11
Rot. Bonds6

About tert-butyl-[[6-(1,3-dioxolan-2-ylmethyl)-3-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane

tert-butyl-[[6-(1,3-dioxolan-2-ylmethyl)-3-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane (PubChem CID 68707768) has the molecular formula C17H32O5Si and a molecular weight of 344.52 g/mol. Its IUPAC name is tert-butyl-[[6-(1,3-dioxolan-2-ylmethyl)-3-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[6-(1,3-dioxolan-2-ylmethyl)-3-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
PubChem CID68707768
Molecular FormulaC17H32O5Si
Molecular Weight344.52 g/mol
Exact Mass344.20
IUPAC Nametert-butyl-[[6-(1,3-dioxolan-2-ylmethyl)-3-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
SMILESCOC1C=CC(CC2OCCO2)OC1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O5Si/c1-17(2,3)23(5,6)21-12-15-14(18-4)8-7-13(22-15)11-16-19-9-10-20-16/h7-8,13-16H,9-12H2,1-6H3
InChIKeyXRPSWNRFORBZRU-UHFFFAOYSA-N
XLogP3.11
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.52
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[[6-(1,3-dioxolan-2-ylmethyl)-3-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[6-(1,3-dioxolan-2-ylmethyl)-3-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane (CID 68707768) is tert-butyl-[[6-(1,3-dioxolan-2-ylmethyl)-3-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[6-(1,3-dioxolan-2-ylmethyl)-3-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[6-(1,3-dioxolan-2-ylmethyl)-3-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane is COC1C=CC(CC2OCCO2)OC1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[[6-(1,3-dioxolan-2-ylmethyl)-3-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane?
The InChIKey is XRPSWNRFORBZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O5Si/c1-17(2,3)23(5,6)21-12-15-14(18-4)8-7-13(22-15)11-16-19-9-10-20-16/h7-8,13-16H,9-12H2,1-6H3.
What are the key properties of tert-butyl-[[6-(1,3-dioxolan-2-ylmethyl)-3-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane?
tert-butyl-[[6-(1,3-dioxolan-2-ylmethyl)-3-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane has a molecular weight of 344.52 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[6-(1,3-dioxolan-2-ylmethyl)-3-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 68707768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).