prop-2-enyl (5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoate

C15H28O4Si — CID 11301043

IUPACprop-2-enyl (5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoate
SMILESC=CCOC(=O)CC(=O)C[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O4Si/c1-8-9-18-14(17)11-13(16)10-12(2)19-20(6,7)15(3,4)5/h8,12H,1,9-11H2,2-7H3/t12-/m0/s1
InChIKeyLLJXOQKMKQWKGW-LBPRGKRZSA-N
MW300.47 g/mol
LogP3.48
Rot. Bonds8

About prop-2-enyl (5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoate

prop-2-enyl (5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoate (PubChem CID 11301043) has the molecular formula C15H28O4Si and a molecular weight of 300.47 g/mol. Its IUPAC name is prop-2-enyl (5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoate.

Molecular Properties

Compound Nameprop-2-enyl (5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoate
PubChem CID11301043
Molecular FormulaC15H28O4Si
Molecular Weight300.47 g/mol
Exact Mass300.18
IUPAC Nameprop-2-enyl (5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoate
SMILESC=CCOC(=O)CC(=O)C[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O4Si/c1-8-9-18-14(17)11-13(16)10-12(2)19-20(6,7)15(3,4)5/h8,12H,1,9-11H2,2-7H3/t12-/m0/s1
InChIKeyLLJXOQKMKQWKGW-LBPRGKRZSA-N
XLogP3.48
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze prop-2-enyl (5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoate?
The IUPAC name of prop-2-enyl (5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoate (CID 11301043) is prop-2-enyl (5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoate.
What is the SMILES notation for prop-2-enyl (5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoate?
The canonical SMILES for prop-2-enyl (5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoate is C=CCOC(=O)CC(=O)C[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of prop-2-enyl (5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoate?
The InChIKey is LLJXOQKMKQWKGW-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H28O4Si/c1-8-9-18-14(17)11-13(16)10-12(2)19-20(6,7)15(3,4)5/h8,12H,1,9-11H2,2-7H3/t12-/m0/s1.
What are the key properties of prop-2-enyl (5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoate?
prop-2-enyl (5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoate has a molecular weight of 300.47 g/mol, XLogP of 3.48, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoate is sourced from PubChem (CID 11301043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).