1-[(2R,3S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-3-methyloxan-2-yl]propan-2-one

C17H32O3Si — CID 24881632

IUPAC1-[(2R,3S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-3-methyloxan-2-yl]propan-2-one
SMILESC=C[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](CC(C)=O)O1
InChIInChI=1S/C17H32O3Si/c1-9-14-11-16(20-21(7,8)17(4,5)6)13(3)15(19-14)10-12(2)18/h9,13-16H,1,10-11H2,2-8H3/t13-,14-,15+,16+/m0/s1
InChIKeyXGFUMLVEZDHZHD-CAOSSQGBSA-N
MW312.53 g/mol
LogP4.34
Rot. Bonds5

About 1-[(2R,3S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-3-methyloxan-2-yl]propan-2-one

1-[(2R,3S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-3-methyloxan-2-yl]propan-2-one (PubChem CID 24881632) has the molecular formula C17H32O3Si and a molecular weight of 312.53 g/mol. Its IUPAC name is 1-[(2R,3S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-3-methyloxan-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[(2R,3S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-3-methyloxan-2-yl]propan-2-one
PubChem CID24881632
Molecular FormulaC17H32O3Si
Molecular Weight312.53 g/mol
Exact Mass312.21
IUPAC Name1-[(2R,3S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-3-methyloxan-2-yl]propan-2-one
SMILESC=C[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](CC(C)=O)O1
InChIInChI=1S/C17H32O3Si/c1-9-14-11-16(20-21(7,8)17(4,5)6)13(3)15(19-14)10-12(2)18/h9,13-16H,1,10-11H2,2-8H3/t13-,14-,15+,16+/m0/s1
InChIKeyXGFUMLVEZDHZHD-CAOSSQGBSA-N
XLogP4.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.53
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-[(2R,3S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-3-methyloxan-2-yl]propan-2-one?
The IUPAC name of 1-[(2R,3S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-3-methyloxan-2-yl]propan-2-one (CID 24881632) is 1-[(2R,3S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-3-methyloxan-2-yl]propan-2-one.
What is the SMILES notation for 1-[(2R,3S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-3-methyloxan-2-yl]propan-2-one?
The canonical SMILES for 1-[(2R,3S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-3-methyloxan-2-yl]propan-2-one is C=C[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](CC(C)=O)O1.
What is the InChIKey of 1-[(2R,3S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-3-methyloxan-2-yl]propan-2-one?
The InChIKey is XGFUMLVEZDHZHD-CAOSSQGBSA-N. The full InChI is InChI=1S/C17H32O3Si/c1-9-14-11-16(20-21(7,8)17(4,5)6)13(3)15(19-14)10-12(2)18/h9,13-16H,1,10-11H2,2-8H3/t13-,14-,15+,16+/m0/s1.
What are the key properties of 1-[(2R,3S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-3-methyloxan-2-yl]propan-2-one?
1-[(2R,3S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-3-methyloxan-2-yl]propan-2-one has a molecular weight of 312.53 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-3-methyloxan-2-yl]propan-2-one is sourced from PubChem (CID 24881632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).