(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(3-methylbutoxy)-5-oxopentanoic acid

C16H32O5Si — CID 102169255

IUPAC(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(3-methylbutoxy)-5-oxopentanoic acid
SMILESCC(C)CCOC(=O)C[C@H](CC(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O5Si/c1-12(2)8-9-20-15(19)11-13(10-14(17)18)21-22(6,7)16(3,4)5/h12-13H,8-11H2,1-7H3,(H,17,18)/t13-/m0/s1
InChIKeyBZYKYBFMMIELEB-ZDUSSCGKSA-N
MW332.51 g/mol
LogP3.83
Rot. Bonds9

About (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(3-methylbutoxy)-5-oxopentanoic acid

(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(3-methylbutoxy)-5-oxopentanoic acid (PubChem CID 102169255) has the molecular formula C16H32O5Si and a molecular weight of 332.51 g/mol. Its IUPAC name is (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(3-methylbutoxy)-5-oxopentanoic acid.

Molecular Properties

Compound Name(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(3-methylbutoxy)-5-oxopentanoic acid
PubChem CID102169255
Molecular FormulaC16H32O5Si
Molecular Weight332.51 g/mol
Exact Mass332.20
IUPAC Name(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(3-methylbutoxy)-5-oxopentanoic acid
SMILESCC(C)CCOC(=O)C[C@H](CC(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O5Si/c1-12(2)8-9-20-15(19)11-13(10-14(17)18)21-22(6,7)16(3,4)5/h12-13H,8-11H2,1-7H3,(H,17,18)/t13-/m0/s1
InChIKeyBZYKYBFMMIELEB-ZDUSSCGKSA-N
XLogP3.83
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(3-methylbutoxy)-5-oxopentanoic acid 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

3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid
CID 14110577
4-[tert-butyl(dimethyl)silyl]oxyheptane-2,6-dione
CID 123783100
3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-[(2-methylpropan-2-yl)oxy]pentanoic acid
CID 123308582
(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid
CID 88701729
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-5-oxohexanoate
CID 89272980
ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxypentanoate
CID 11222352
bis(3-methylbutyl) 2-hydroxybutanedioate
CID 10308226
tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-isocyanobutanoate;(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-isocyanobutanoic acid;ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-isocyanobutanoate;ethyl (3S)-3-hydroxy-4-isocyanobutanoate
CID 158746361
2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoic acid
CID 14412199
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxytetradecanoate
CID 58160475
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-5-oxohexanoic acid
CID 101339445
methyl 4-[tert-butyl(dimethyl)silyl]oxy-2-oxoheptanoate
CID 10708520

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(3-methylbutoxy)-5-oxopentanoic acid?
The IUPAC name of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(3-methylbutoxy)-5-oxopentanoic acid (CID 102169255) is (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(3-methylbutoxy)-5-oxopentanoic acid.
What is the SMILES notation for (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(3-methylbutoxy)-5-oxopentanoic acid?
The canonical SMILES for (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(3-methylbutoxy)-5-oxopentanoic acid is CC(C)CCOC(=O)C[C@H](CC(=O)O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(3-methylbutoxy)-5-oxopentanoic acid?
The InChIKey is BZYKYBFMMIELEB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H32O5Si/c1-12(2)8-9-20-15(19)11-13(10-14(17)18)21-22(6,7)16(3,4)5/h12-13H,8-11H2,1-7H3,(H,17,18)/t13-/m0/s1.
What are the key properties of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(3-methylbutoxy)-5-oxopentanoic acid?
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(3-methylbutoxy)-5-oxopentanoic acid has a molecular weight of 332.51 g/mol, XLogP of 3.83, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(3-methylbutoxy)-5-oxopentanoic acid is sourced from PubChem (CID 102169255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).