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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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).