[(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-7-oxoheptyl] acetate

C16H32O5Si — CID 11667114

IUPAC[(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-7-oxoheptyl] acetate
SMILESCO[C@@H](CC=O)[C@H](CCCOC(C)=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O5Si/c1-13(18)20-12-8-9-15(14(19-5)10-11-17)21-22(6,7)16(2,3)4/h11,14-15H,8-10,12H2,1-7H3/t14-,15-/m0/s1
InChIKeyFTCFVIIAMLKKOU-GJZGRUSLSA-N
MW332.51 g/mol
LogP3.32
Rot. Bonds10

About [(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-7-oxoheptyl] acetate

[(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-7-oxoheptyl] acetate (PubChem CID 11667114) has the molecular formula C16H32O5Si and a molecular weight of 332.51 g/mol. Its IUPAC name is [(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-7-oxoheptyl] acetate.

Molecular Properties

Compound Name[(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-7-oxoheptyl] acetate
PubChem CID11667114
Molecular FormulaC16H32O5Si
Molecular Weight332.51 g/mol
Exact Mass332.20
IUPAC Name[(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-7-oxoheptyl] acetate
SMILESCO[C@@H](CC=O)[C@H](CCCOC(C)=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O5Si/c1-13(18)20-12-8-9-15(14(19-5)10-11-17)21-22(6,7)16(2,3)4/h11,14-15H,8-10,12H2,1-7H3/t14-,15-/m0/s1
InChIKeyFTCFVIIAMLKKOU-GJZGRUSLSA-N
XLogP3.32
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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'}

Analyze [(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-7-oxoheptyl] acetate with MolForge

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

Launch Full Analysis

Related Compounds

Methyl (5S,6S)-5,6-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-7-oxoheptanoate
CID 14463532
methyl 2-[(2S,4S,5S,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-formyloxan-2-yl]acetate
CID 11316799
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-5-oxooxolan-2-yl]-2-triethylsilyloxypropanal
CID 11784419
(3R,4R)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-4-methylheptanal
CID 54577485
[(6S)-2-(2,2-dimethylpropanoyloxy)-7-oxo-6-tri(propan-2-yl)silyloxyheptyl] 2,2-dimethylpropanoate
CID 101994426
Methyl 5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-7-oxoheptanoate
CID 14463531
Methyl 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-oxoheptanoate
CID 23352459
(5S, 6R) methyl 5,6-di(tert-butyldimethylsiloxy)-7-oxoheptanoate
CID 86598271
(3S,4S,5S,6R)-3,4,5,7-tetrabutoxy-6-triethylsilyloxyheptanal
CID 89338434
(3S,4R,5R,6R)-3,4,5,7-tetrabutoxy-6-triethylsilyloxyheptanal
CID 89338553
[(5R,6S)-6-methyl-7-oxo-5-triethylsilyloxyheptyl] 2,2-dimethylpropanoate
CID 10618415
(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[(2R)-5-oxooxolan-2-yl]propanal
CID 10621168

Frequently Asked Questions

What is the IUPAC name of [(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-7-oxoheptyl] acetate?
The IUPAC name of [(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-7-oxoheptyl] acetate (CID 11667114) is [(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-7-oxoheptyl] acetate.
What is the SMILES notation for [(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-7-oxoheptyl] acetate?
The canonical SMILES for [(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-7-oxoheptyl] acetate is CO[C@@H](CC=O)[C@H](CCCOC(C)=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-7-oxoheptyl] acetate?
The InChIKey is FTCFVIIAMLKKOU-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H32O5Si/c1-13(18)20-12-8-9-15(14(19-5)10-11-17)21-22(6,7)16(2,3)4/h11,14-15H,8-10,12H2,1-7H3/t14-,15-/m0/s1.
What are the key properties of [(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-7-oxoheptyl] acetate?
[(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-7-oxoheptyl] acetate has a molecular weight of 332.51 g/mol, XLogP of 3.32, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-7-oxoheptyl] acetate is sourced from PubChem (CID 11667114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).