[(2S,3S,6R)-6-(1,3-dioxolan-2-ylmethyl)-3-methoxy-3,6-dihydro-2H-pyran-2-yl]methyl-trimethylsilane

C14H26O4Si — CID 70903432

IUPAC[(2S,3S,6R)-6-(1,3-dioxolan-2-ylmethyl)-3-methoxy-3,6-dihydro-2H-pyran-2-yl]methyl-trimethylsilane
SMILESCO[C@H]1C=C[C@@H](CC2OCCO2)O[C@@H]1C[Si](C)(C)C
InChIInChI=1S/C14H26O4Si/c1-15-12-6-5-11(9-14-16-7-8-17-14)18-13(12)10-19(2,3)4/h5-6,11-14H,7-10H2,1-4H3/t11-,12-,13+/m0/s1
InChIKeyHDEFLPXJWQPAFE-RWMBFGLXSA-N
MW286.44 g/mol
LogP2.43
Rot. Bonds5

About [(2S,3S,6R)-6-(1,3-dioxolan-2-ylmethyl)-3-methoxy-3,6-dihydro-2H-pyran-2-yl]methyl-trimethylsilane

[(2S,3S,6R)-6-(1,3-dioxolan-2-ylmethyl)-3-methoxy-3,6-dihydro-2H-pyran-2-yl]methyl-trimethylsilane (PubChem CID 70903432) has the molecular formula C14H26O4Si and a molecular weight of 286.44 g/mol. Its IUPAC name is [(2S,3S,6R)-6-(1,3-dioxolan-2-ylmethyl)-3-methoxy-3,6-dihydro-2H-pyran-2-yl]methyl-trimethylsilane.

Molecular Properties

Compound Name[(2S,3S,6R)-6-(1,3-dioxolan-2-ylmethyl)-3-methoxy-3,6-dihydro-2H-pyran-2-yl]methyl-trimethylsilane
PubChem CID70903432
Molecular FormulaC14H26O4Si
Molecular Weight286.44 g/mol
Exact Mass286.16
IUPAC Name[(2S,3S,6R)-6-(1,3-dioxolan-2-ylmethyl)-3-methoxy-3,6-dihydro-2H-pyran-2-yl]methyl-trimethylsilane
SMILESCO[C@H]1C=C[C@@H](CC2OCCO2)O[C@@H]1C[Si](C)(C)C
InChIInChI=1S/C14H26O4Si/c1-15-12-6-5-11(9-14-16-7-8-17-14)18-13(12)10-19(2,3)4/h5-6,11-14H,7-10H2,1-4H3/t11-,12-,13+/m0/s1
InChIKeyHDEFLPXJWQPAFE-RWMBFGLXSA-N
XLogP2.43
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 52.43
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'}

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Frequently Asked Questions

What is the IUPAC name of [(2S,3S,6R)-6-(1,3-dioxolan-2-ylmethyl)-3-methoxy-3,6-dihydro-2H-pyran-2-yl]methyl-trimethylsilane?
The IUPAC name of [(2S,3S,6R)-6-(1,3-dioxolan-2-ylmethyl)-3-methoxy-3,6-dihydro-2H-pyran-2-yl]methyl-trimethylsilane (CID 70903432) is [(2S,3S,6R)-6-(1,3-dioxolan-2-ylmethyl)-3-methoxy-3,6-dihydro-2H-pyran-2-yl]methyl-trimethylsilane.
What is the SMILES notation for [(2S,3S,6R)-6-(1,3-dioxolan-2-ylmethyl)-3-methoxy-3,6-dihydro-2H-pyran-2-yl]methyl-trimethylsilane?
The canonical SMILES for [(2S,3S,6R)-6-(1,3-dioxolan-2-ylmethyl)-3-methoxy-3,6-dihydro-2H-pyran-2-yl]methyl-trimethylsilane is CO[C@H]1C=C[C@@H](CC2OCCO2)O[C@@H]1C[Si](C)(C)C.
What is the InChIKey of [(2S,3S,6R)-6-(1,3-dioxolan-2-ylmethyl)-3-methoxy-3,6-dihydro-2H-pyran-2-yl]methyl-trimethylsilane?
The InChIKey is HDEFLPXJWQPAFE-RWMBFGLXSA-N. The full InChI is InChI=1S/C14H26O4Si/c1-15-12-6-5-11(9-14-16-7-8-17-14)18-13(12)10-19(2,3)4/h5-6,11-14H,7-10H2,1-4H3/t11-,12-,13+/m0/s1.
What are the key properties of [(2S,3S,6R)-6-(1,3-dioxolan-2-ylmethyl)-3-methoxy-3,6-dihydro-2H-pyran-2-yl]methyl-trimethylsilane?
[(2S,3S,6R)-6-(1,3-dioxolan-2-ylmethyl)-3-methoxy-3,6-dihydro-2H-pyran-2-yl]methyl-trimethylsilane has a molecular weight of 286.44 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,6R)-6-(1,3-dioxolan-2-ylmethyl)-3-methoxy-3,6-dihydro-2H-pyran-2-yl]methyl-trimethylsilane is sourced from PubChem (CID 70903432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).