2-[(2R,6R)-2-[(2S)-4-(bromomethyl)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane

C20H37BrO2Si — CID 11407428

IUPAC2-[(2R,6R)-2-[(2S)-4-(bromomethyl)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane
SMILESC=C(CBr)C[C@H](C)C[C@@H]1CC=C[C@@H](CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C20H37BrO2Si/c1-16(13-17(2)15-21)14-19-10-8-9-18(23-19)11-12-22-24(6,7)20(3,4)5/h8-9,16,18-19H,2,10-15H2,1,3-7H3/t16-,18-,19-/m0/s1
InChIKeyDDXNZUQJXUHJSM-WDSOQIARSA-N
MW417.50 g/mol
LogP6.48
Rot. Bonds9

About 2-[(2R,6R)-2-[(2S)-4-(bromomethyl)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane

2-[(2R,6R)-2-[(2S)-4-(bromomethyl)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane (PubChem CID 11407428) has the molecular formula C20H37BrO2Si and a molecular weight of 417.50 g/mol. Its IUPAC name is 2-[(2R,6R)-2-[(2S)-4-(bromomethyl)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name2-[(2R,6R)-2-[(2S)-4-(bromomethyl)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane
PubChem CID11407428
Molecular FormulaC20H37BrO2Si
Molecular Weight417.50 g/mol
Exact Mass416.17
IUPAC Name2-[(2R,6R)-2-[(2S)-4-(bromomethyl)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane
SMILESC=C(CBr)C[C@H](C)C[C@@H]1CC=C[C@@H](CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C20H37BrO2Si/c1-16(13-17(2)15-21)14-19-10-8-9-18(23-19)11-12-22-24(6,7)20(3,4)5/h8-9,16,18-19H,2,10-15H2,1,3-7H3/t16-,18-,19-/m0/s1
InChIKeyDDXNZUQJXUHJSM-WDSOQIARSA-N
XLogP6.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.50
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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 2-[(2R,6R)-2-[(2S)-4-(bromomethyl)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane?
The IUPAC name of 2-[(2R,6R)-2-[(2S)-4-(bromomethyl)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane (CID 11407428) is 2-[(2R,6R)-2-[(2S)-4-(bromomethyl)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 2-[(2R,6R)-2-[(2S)-4-(bromomethyl)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 2-[(2R,6R)-2-[(2S)-4-(bromomethyl)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane is C=C(CBr)C[C@H](C)C[C@@H]1CC=C[C@@H](CCO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of 2-[(2R,6R)-2-[(2S)-4-(bromomethyl)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane?
The InChIKey is DDXNZUQJXUHJSM-WDSOQIARSA-N. The full InChI is InChI=1S/C20H37BrO2Si/c1-16(13-17(2)15-21)14-19-10-8-9-18(23-19)11-12-22-24(6,7)20(3,4)5/h8-9,16,18-19H,2,10-15H2,1,3-7H3/t16-,18-,19-/m0/s1.
What are the key properties of 2-[(2R,6R)-2-[(2S)-4-(bromomethyl)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane?
2-[(2R,6R)-2-[(2S)-4-(bromomethyl)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane has a molecular weight of 417.50 g/mol, XLogP of 6.48, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6R)-2-[(2S)-4-(bromomethyl)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11407428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).