(5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-oxopentanoic acid

C18H32O6Si — CID 101036385

IUPAC(5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-oxopentanoic acid
SMILESC=C[C@H]1OC(C)(C)O[C@@H]1[C@@H](CC(=O)CC(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32O6Si/c1-9-13-16(23-18(5,6)22-13)14(10-12(19)11-15(20)21)24-25(7,8)17(2,3)4/h9,13-14,16H,1,10-11H2,2-8H3,(H,20,21)/t13-,14-,16+/m1/s1
InChIKeyIJZCTKWFXINFDT-FMKPAKJESA-N
MW372.53 g/mol
LogP3.52
Rot. Bonds8

About (5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-oxopentanoic acid

(5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-oxopentanoic acid (PubChem CID 101036385) has the molecular formula C18H32O6Si and a molecular weight of 372.53 g/mol. Its IUPAC name is (5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-oxopentanoic acid.

Molecular Properties

Compound Name(5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-oxopentanoic acid
PubChem CID101036385
Molecular FormulaC18H32O6Si
Molecular Weight372.53 g/mol
Exact Mass372.20
IUPAC Name(5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-oxopentanoic acid
SMILESC=C[C@H]1OC(C)(C)O[C@@H]1[C@@H](CC(=O)CC(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32O6Si/c1-9-13-16(23-18(5,6)22-13)14(10-12(19)11-15(20)21)24-25(7,8)17(2,3)4/h9,13-14,16H,1,10-11H2,2-8H3,(H,20,21)/t13-,14-,16+/m1/s1
InChIKeyIJZCTKWFXINFDT-FMKPAKJESA-N
XLogP3.52
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 (5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-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

(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid
CID 11012955
3-[(4R,5R)-5-[(E,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)undec-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid
CID 11443744
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxypropanoic acid
CID 11530591
3-(2-methoxyethoxymethoxy)pent-4-en-2-yl (5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(3-hydroxybutanoyloxy)hexanoate
CID 101899449

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-oxopentanoic acid?
The IUPAC name of (5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-oxopentanoic acid (CID 101036385) is (5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-oxopentanoic acid.
What is the SMILES notation for (5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-oxopentanoic acid?
The canonical SMILES for (5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-oxopentanoic acid is C=C[C@H]1OC(C)(C)O[C@@H]1[C@@H](CC(=O)CC(=O)O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-oxopentanoic acid?
The InChIKey is IJZCTKWFXINFDT-FMKPAKJESA-N. The full InChI is InChI=1S/C18H32O6Si/c1-9-13-16(23-18(5,6)22-13)14(10-12(19)11-15(20)21)24-25(7,8)17(2,3)4/h9,13-14,16H,1,10-11H2,2-8H3,(H,20,21)/t13-,14-,16+/m1/s1.
What are the key properties of (5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-oxopentanoic acid?
(5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-oxopentanoic acid has a molecular weight of 372.53 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-oxopentanoic acid is sourced from PubChem (CID 101036385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).