methyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-(1,3-dioxolan-2-yl)ethyl]-3-hydroxypentanoate

C17H34O6Si — CID 102089770

IUPACmethyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-(1,3-dioxolan-2-yl)ethyl]-3-hydroxypentanoate
SMILESCOC(=O)C(CCC1OCCO1)C(O)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O6Si/c1-12(23-24(6,7)17(2,3)4)15(18)13(16(19)20-5)8-9-14-21-10-11-22-14/h12-15,18H,8-11H2,1-7H3/t12-,13?,15?/m0/s1
InChIKeyZAOXNFFNBXLFHT-OPFPJEHXSA-N
MW362.54 g/mol
LogP2.70
Rot. Bonds8

About methyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-(1,3-dioxolan-2-yl)ethyl]-3-hydroxypentanoate

methyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-(1,3-dioxolan-2-yl)ethyl]-3-hydroxypentanoate (PubChem CID 102089770) has the molecular formula C17H34O6Si and a molecular weight of 362.54 g/mol. Its IUPAC name is methyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-(1,3-dioxolan-2-yl)ethyl]-3-hydroxypentanoate.

Molecular Properties

Compound Namemethyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-(1,3-dioxolan-2-yl)ethyl]-3-hydroxypentanoate
PubChem CID102089770
Molecular FormulaC17H34O6Si
Molecular Weight362.54 g/mol
Exact Mass362.21
IUPAC Namemethyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-(1,3-dioxolan-2-yl)ethyl]-3-hydroxypentanoate
SMILESCOC(=O)C(CCC1OCCO1)C(O)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O6Si/c1-12(23-24(6,7)17(2,3)4)15(18)13(16(19)20-5)8-9-14-21-10-11-22-14/h12-15,18H,8-11H2,1-7H3/t12-,13?,15?/m0/s1
InChIKeyZAOXNFFNBXLFHT-OPFPJEHXSA-N
XLogP2.70
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.54
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 10879449
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-dioxan-2-yl)pentan-3-one
CID 11483490
methyl (2R,4S,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-10-chloro-6-(1,3-dioxolan-2-yl)-2,4-dimethyldecanoate
CID 140891098
tert-butyl-[(E,2S)-9-(1,3-dioxolan-2-yl)non-6-en-2-yl]oxy-dimethylsilane
CID 134983641
tert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanoate
CID 24741474
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
CID 11128611
methyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-methylpropanoylamino)butanoate
CID 142596258
methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoate
CID 101115916
methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate
CID 14264897
S-ethyl (2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylpentanethioate
CID 102374118
methyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1,1-dioxo-1,4-thiazinan-4-yl)butanoate
CID 154680481
ethyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methylaminomethyl)butanoate
CID 57178030

Frequently Asked Questions

What is the IUPAC name of methyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-(1,3-dioxolan-2-yl)ethyl]-3-hydroxypentanoate?
The IUPAC name of methyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-(1,3-dioxolan-2-yl)ethyl]-3-hydroxypentanoate (CID 102089770) is methyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-(1,3-dioxolan-2-yl)ethyl]-3-hydroxypentanoate.
What is the SMILES notation for methyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-(1,3-dioxolan-2-yl)ethyl]-3-hydroxypentanoate?
The canonical SMILES for methyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-(1,3-dioxolan-2-yl)ethyl]-3-hydroxypentanoate is COC(=O)C(CCC1OCCO1)C(O)[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-(1,3-dioxolan-2-yl)ethyl]-3-hydroxypentanoate?
The InChIKey is ZAOXNFFNBXLFHT-OPFPJEHXSA-N. The full InChI is InChI=1S/C17H34O6Si/c1-12(23-24(6,7)17(2,3)4)15(18)13(16(19)20-5)8-9-14-21-10-11-22-14/h12-15,18H,8-11H2,1-7H3/t12-,13?,15?/m0/s1.
What are the key properties of methyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-(1,3-dioxolan-2-yl)ethyl]-3-hydroxypentanoate?
methyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-(1,3-dioxolan-2-yl)ethyl]-3-hydroxypentanoate has a molecular weight of 362.54 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-(1,3-dioxolan-2-yl)ethyl]-3-hydroxypentanoate is sourced from PubChem (CID 102089770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).