[(E,4R,5R)-3,5-dimethyl-6-oxo-4-triethylsilyloxyoct-2-enyl] formate

C17H32O4Si — CID 11638463

IUPAC[(E,4R,5R)-3,5-dimethyl-6-oxo-4-triethylsilyloxyoct-2-enyl] formate
SMILESCCC(=O)[C@H](C)[C@@H](O[Si](CC)(CC)CC)/C(C)=C/COC=O
InChIInChI=1S/C17H32O4Si/c1-7-16(19)15(6)17(14(5)11-12-20-13-18)21-22(8-2,9-3)10-4/h11,13,15,17H,7-10,12H2,1-6H3/b14-11+/t15-,17-/m0/s1
InChIKeyRUPWZUASQMKGKH-JGNWAGBRSA-N
MW328.53 g/mol
LogP4.11
Rot. Bonds12

About [(E,4R,5R)-3,5-dimethyl-6-oxo-4-triethylsilyloxyoct-2-enyl] formate

[(E,4R,5R)-3,5-dimethyl-6-oxo-4-triethylsilyloxyoct-2-enyl] formate (PubChem CID 11638463) has the molecular formula C17H32O4Si and a molecular weight of 328.53 g/mol. Its IUPAC name is [(E,4R,5R)-3,5-dimethyl-6-oxo-4-triethylsilyloxyoct-2-enyl] formate.

Molecular Properties

Compound Name[(E,4R,5R)-3,5-dimethyl-6-oxo-4-triethylsilyloxyoct-2-enyl] formate
PubChem CID11638463
Molecular FormulaC17H32O4Si
Molecular Weight328.53 g/mol
Exact Mass328.21
IUPAC Name[(E,4R,5R)-3,5-dimethyl-6-oxo-4-triethylsilyloxyoct-2-enyl] formate
SMILESCCC(=O)[C@H](C)[C@@H](O[Si](CC)(CC)CC)/C(C)=C/COC=O
InChIInChI=1S/C17H32O4Si/c1-7-16(19)15(6)17(14(5)11-12-20-13-18)21-22(8-2,9-3)10-4/h11,13,15,17H,7-10,12H2,1-6H3/b14-11+/t15-,17-/m0/s1
InChIKeyRUPWZUASQMKGKH-JGNWAGBRSA-N
XLogP4.11
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.53
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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 [(E,4R,5R)-3,5-dimethyl-6-oxo-4-triethylsilyloxyoct-2-enyl] formate?
The IUPAC name of [(E,4R,5R)-3,5-dimethyl-6-oxo-4-triethylsilyloxyoct-2-enyl] formate (CID 11638463) is [(E,4R,5R)-3,5-dimethyl-6-oxo-4-triethylsilyloxyoct-2-enyl] formate.
What is the SMILES notation for [(E,4R,5R)-3,5-dimethyl-6-oxo-4-triethylsilyloxyoct-2-enyl] formate?
The canonical SMILES for [(E,4R,5R)-3,5-dimethyl-6-oxo-4-triethylsilyloxyoct-2-enyl] formate is CCC(=O)[C@H](C)[C@@H](O[Si](CC)(CC)CC)/C(C)=C/COC=O.
What is the InChIKey of [(E,4R,5R)-3,5-dimethyl-6-oxo-4-triethylsilyloxyoct-2-enyl] formate?
The InChIKey is RUPWZUASQMKGKH-JGNWAGBRSA-N. The full InChI is InChI=1S/C17H32O4Si/c1-7-16(19)15(6)17(14(5)11-12-20-13-18)21-22(8-2,9-3)10-4/h11,13,15,17H,7-10,12H2,1-6H3/b14-11+/t15-,17-/m0/s1.
What are the key properties of [(E,4R,5R)-3,5-dimethyl-6-oxo-4-triethylsilyloxyoct-2-enyl] formate?
[(E,4R,5R)-3,5-dimethyl-6-oxo-4-triethylsilyloxyoct-2-enyl] formate has a molecular weight of 328.53 g/mol, XLogP of 4.11, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,4R,5R)-3,5-dimethyl-6-oxo-4-triethylsilyloxyoct-2-enyl] formate is sourced from PubChem (CID 11638463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).