3-[6-(1,3-dioxolan-2-ylmethyl)-3-methoxy-3,6-dihydro-2H-pyran-2-yl]prop-1-ynyl-trimethylsilane

C16H26O4Si — CID 68714309

IUPAC3-[6-(1,3-dioxolan-2-ylmethyl)-3-methoxy-3,6-dihydro-2H-pyran-2-yl]prop-1-ynyl-trimethylsilane
SMILESCOC1C=CC(CC2OCCO2)OC1CC#C[Si](C)(C)C
InChIInChI=1S/C16H26O4Si/c1-17-14-8-7-13(12-16-18-9-10-19-16)20-15(14)6-5-11-21(2,3)4/h7-8,13-16H,6,9-10,12H2,1-4H3
InChIKeyBDJNQKCLMBGXOC-UHFFFAOYSA-N
MW310.47 g/mol
LogP2.36
Rot. Bonds4

About 3-[6-(1,3-dioxolan-2-ylmethyl)-3-methoxy-3,6-dihydro-2H-pyran-2-yl]prop-1-ynyl-trimethylsilane

3-[6-(1,3-dioxolan-2-ylmethyl)-3-methoxy-3,6-dihydro-2H-pyran-2-yl]prop-1-ynyl-trimethylsilane (PubChem CID 68714309) has the molecular formula C16H26O4Si and a molecular weight of 310.47 g/mol. Its IUPAC name is 3-[6-(1,3-dioxolan-2-ylmethyl)-3-methoxy-3,6-dihydro-2H-pyran-2-yl]prop-1-ynyl-trimethylsilane.

Molecular Properties

Compound Name3-[6-(1,3-dioxolan-2-ylmethyl)-3-methoxy-3,6-dihydro-2H-pyran-2-yl]prop-1-ynyl-trimethylsilane
PubChem CID68714309
Molecular FormulaC16H26O4Si
Molecular Weight310.47 g/mol
Exact Mass310.16
IUPAC Name3-[6-(1,3-dioxolan-2-ylmethyl)-3-methoxy-3,6-dihydro-2H-pyran-2-yl]prop-1-ynyl-trimethylsilane
SMILESCOC1C=CC(CC2OCCO2)OC1CC#C[Si](C)(C)C
InChIInChI=1S/C16H26O4Si/c1-17-14-8-7-13(12-16-18-9-10-19-16)20-15(14)6-5-11-21(2,3)4/h7-8,13-16H,6,9-10,12H2,1-4H3
InChIKeyBDJNQKCLMBGXOC-UHFFFAOYSA-N
XLogP2.36
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(1,3-dioxolan-2-ylmethyl)-3-methoxy-3,6-dihydro-2H-pyran-2-yl]prop-1-ynyl-trimethylsilane?
The IUPAC name of 3-[6-(1,3-dioxolan-2-ylmethyl)-3-methoxy-3,6-dihydro-2H-pyran-2-yl]prop-1-ynyl-trimethylsilane (CID 68714309) is 3-[6-(1,3-dioxolan-2-ylmethyl)-3-methoxy-3,6-dihydro-2H-pyran-2-yl]prop-1-ynyl-trimethylsilane.
What is the SMILES notation for 3-[6-(1,3-dioxolan-2-ylmethyl)-3-methoxy-3,6-dihydro-2H-pyran-2-yl]prop-1-ynyl-trimethylsilane?
The canonical SMILES for 3-[6-(1,3-dioxolan-2-ylmethyl)-3-methoxy-3,6-dihydro-2H-pyran-2-yl]prop-1-ynyl-trimethylsilane is COC1C=CC(CC2OCCO2)OC1CC#C[Si](C)(C)C.
What is the InChIKey of 3-[6-(1,3-dioxolan-2-ylmethyl)-3-methoxy-3,6-dihydro-2H-pyran-2-yl]prop-1-ynyl-trimethylsilane?
The InChIKey is BDJNQKCLMBGXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4Si/c1-17-14-8-7-13(12-16-18-9-10-19-16)20-15(14)6-5-11-21(2,3)4/h7-8,13-16H,6,9-10,12H2,1-4H3.
What are the key properties of 3-[6-(1,3-dioxolan-2-ylmethyl)-3-methoxy-3,6-dihydro-2H-pyran-2-yl]prop-1-ynyl-trimethylsilane?
3-[6-(1,3-dioxolan-2-ylmethyl)-3-methoxy-3,6-dihydro-2H-pyran-2-yl]prop-1-ynyl-trimethylsilane has a molecular weight of 310.47 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(1,3-dioxolan-2-ylmethyl)-3-methoxy-3,6-dihydro-2H-pyran-2-yl]prop-1-ynyl-trimethylsilane is sourced from PubChem (CID 68714309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).