bromomethyl-[5-[(2R,4R,5S,6R)-4,5-dimethoxy-6-(methoxymethyl)oxan-2-yl]furan-2-yl]-dimethylsilane

C16H27BrO5Si — CID 101261985

IUPACbromomethyl-[5-[(2R,4R,5S,6R)-4,5-dimethoxy-6-(methoxymethyl)oxan-2-yl]furan-2-yl]-dimethylsilane
SMILESCOC[C@H]1O[C@@H](c2ccc([Si](C)(C)CBr)o2)C[C@@H](OC)[C@@H]1OC
InChIInChI=1S/C16H27BrO5Si/c1-18-9-14-16(20-3)13(19-2)8-12(21-14)11-6-7-15(22-11)23(4,5)10-17/h6-7,12-14,16H,8-10H2,1-5H3/t12-,13-,14-,16+/m1/s1
InChIKeyNJLGBALDRSGXAG-KQTLUZQSSA-N
MW407.38 g/mol
LogP2.64
Rot. Bonds7

About bromomethyl-[5-[(2R,4R,5S,6R)-4,5-dimethoxy-6-(methoxymethyl)oxan-2-yl]furan-2-yl]-dimethylsilane

bromomethyl-[5-[(2R,4R,5S,6R)-4,5-dimethoxy-6-(methoxymethyl)oxan-2-yl]furan-2-yl]-dimethylsilane (PubChem CID 101261985) has the molecular formula C16H27BrO5Si and a molecular weight of 407.38 g/mol. Its IUPAC name is bromomethyl-[5-[(2R,4R,5S,6R)-4,5-dimethoxy-6-(methoxymethyl)oxan-2-yl]furan-2-yl]-dimethylsilane.

Molecular Properties

Compound Namebromomethyl-[5-[(2R,4R,5S,6R)-4,5-dimethoxy-6-(methoxymethyl)oxan-2-yl]furan-2-yl]-dimethylsilane
PubChem CID101261985
Molecular FormulaC16H27BrO5Si
Molecular Weight407.38 g/mol
Exact Mass406.08
IUPAC Namebromomethyl-[5-[(2R,4R,5S,6R)-4,5-dimethoxy-6-(methoxymethyl)oxan-2-yl]furan-2-yl]-dimethylsilane
SMILESCOC[C@H]1O[C@@H](c2ccc([Si](C)(C)CBr)o2)C[C@@H](OC)[C@@H]1OC
InChIInChI=1S/C16H27BrO5Si/c1-18-9-14-16(20-3)13(19-2)8-12(21-14)11-6-7-15(22-11)23(4,5)10-17/h6-7,12-14,16H,8-10H2,1-5H3/t12-,13-,14-,16+/m1/s1
InChIKeyNJLGBALDRSGXAG-KQTLUZQSSA-N
XLogP2.64
TPSA50.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.38
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bromomethyl-[5-[(2R,4R,5S,6R)-4,5-dimethoxy-6-(methoxymethyl)oxan-2-yl]furan-2-yl]-dimethylsilane?
The IUPAC name of bromomethyl-[5-[(2R,4R,5S,6R)-4,5-dimethoxy-6-(methoxymethyl)oxan-2-yl]furan-2-yl]-dimethylsilane (CID 101261985) is bromomethyl-[5-[(2R,4R,5S,6R)-4,5-dimethoxy-6-(methoxymethyl)oxan-2-yl]furan-2-yl]-dimethylsilane.
What is the SMILES notation for bromomethyl-[5-[(2R,4R,5S,6R)-4,5-dimethoxy-6-(methoxymethyl)oxan-2-yl]furan-2-yl]-dimethylsilane?
The canonical SMILES for bromomethyl-[5-[(2R,4R,5S,6R)-4,5-dimethoxy-6-(methoxymethyl)oxan-2-yl]furan-2-yl]-dimethylsilane is COC[C@H]1O[C@@H](c2ccc([Si](C)(C)CBr)o2)C[C@@H](OC)[C@@H]1OC.
What is the InChIKey of bromomethyl-[5-[(2R,4R,5S,6R)-4,5-dimethoxy-6-(methoxymethyl)oxan-2-yl]furan-2-yl]-dimethylsilane?
The InChIKey is NJLGBALDRSGXAG-KQTLUZQSSA-N. The full InChI is InChI=1S/C16H27BrO5Si/c1-18-9-14-16(20-3)13(19-2)8-12(21-14)11-6-7-15(22-11)23(4,5)10-17/h6-7,12-14,16H,8-10H2,1-5H3/t12-,13-,14-,16+/m1/s1.
What are the key properties of bromomethyl-[5-[(2R,4R,5S,6R)-4,5-dimethoxy-6-(methoxymethyl)oxan-2-yl]furan-2-yl]-dimethylsilane?
bromomethyl-[5-[(2R,4R,5S,6R)-4,5-dimethoxy-6-(methoxymethyl)oxan-2-yl]furan-2-yl]-dimethylsilane has a molecular weight of 407.38 g/mol, XLogP of 2.64, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethyl-[5-[(2R,4R,5S,6R)-4,5-dimethoxy-6-(methoxymethyl)oxan-2-yl]furan-2-yl]-dimethylsilane is sourced from PubChem (CID 101261985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).