methyl (4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanoate

C18H40O4Si2 — CID 102361488

IUPACmethyl (4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanoate
SMILESCOC(=O)CC[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H40O4Si2/c1-17(2,3)23(8,9)21-14-15(12-13-16(19)20-7)22-24(10,11)18(4,5)6/h15H,12-14H2,1-11H3/t15-/m0/s1
InChIKeyWGCSJJXTRCATOS-HNNXBMFYSA-N
MW376.69 g/mol
LogP5.35
Rot. Bonds8

About methyl (4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanoate

methyl (4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanoate (PubChem CID 102361488) has the molecular formula C18H40O4Si2 and a molecular weight of 376.69 g/mol. Its IUPAC name is methyl (4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanoate.

Molecular Properties

Compound Namemethyl (4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanoate
PubChem CID102361488
Molecular FormulaC18H40O4Si2
Molecular Weight376.69 g/mol
Exact Mass376.25
IUPAC Namemethyl (4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanoate
SMILESCOC(=O)CC[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H40O4Si2/c1-17(2,3)23(8,9)21-14-15(12-13-16(19)20-7)22-24(10,11)18(4,5)6/h15H,12-14H2,1-11H3/t15-/m0/s1
InChIKeyWGCSJJXTRCATOS-HNNXBMFYSA-N
XLogP5.35
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.69
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanoate 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

2-Hydroxyglutarate, TBDMS
CID 634802
3-Deoxy-threo-pentonic acid, tetrakis-TMS
CID 523370
2-Deoxy-erythro-pentonic acid, tetrakis-TMS
CID 15720762
3-Deoxy-erythro-pentonic acid, tetrakis-TMS
CID 91746739
Trimethylsilyl 4,5-bis(trimethylsilyloxy)pentanoate
CID 91753757
Ribonic acid, 2-desoxy-tetrakis-O-(trimethylsilyl)-
CID 91753984
Erythro-Pentonic acid, 2-deoxy-3,4,5-tris-O-(trimethylsilyl)-, trimethylsilyl ester
CID 528638
Pentonic acid, 3-deoxy-2,4,5-tris-O-(trimethylsilyl)-, trimethylsilyl ester
CID 553597
Methyl tert-butyldimethylsilyl 3-[(tert-butyldimethylsilyl)oxy]pentanedioate
CID 13327279
1-O-[tert-butyl(dimethyl)silyl] 5-O-methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate
CID 13327281
3-[Hydroxy(dimethoxy)silyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate
CID 21136752
3-[[3-(4-Ethoxy-2-methyl-5-propoxypentanoyl)oxypropyl-dimethylsilyl]oxy-dimethylsilyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate
CID 23527397

Frequently Asked Questions

What is the IUPAC name of methyl (4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanoate?
The IUPAC name of methyl (4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanoate (CID 102361488) is methyl (4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanoate.
What is the SMILES notation for methyl (4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanoate?
The canonical SMILES for methyl (4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanoate is COC(=O)CC[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanoate?
The InChIKey is WGCSJJXTRCATOS-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H40O4Si2/c1-17(2,3)23(8,9)21-14-15(12-13-16(19)20-7)22-24(10,11)18(4,5)6/h15H,12-14H2,1-11H3/t15-/m0/s1.
What are the key properties of methyl (4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanoate?
methyl (4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanoate has a molecular weight of 376.69 g/mol, XLogP of 5.35, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanoate is sourced from PubChem (CID 102361488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).