ethyl (4S,5R)-5-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate

C17H34O6Si — CID 11631921

IUPACethyl (4S,5R)-5-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
SMILESCCOC(=O)[C@H]1OC(C)(C)O[C@@H]1[C@H](O)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O6Si/c1-10-20-15(19)14-13(21-17(6,7)22-14)12(18)11(2)23-24(8,9)16(3,4)5/h11-14,18H,10H2,1-9H3/t11-,12-,13-,14+/m1/s1
InChIKeyXLWSOVLXWJYSOD-SYQHCUMBSA-N
MW362.54 g/mol
LogP2.84
Rot. Bonds6

About ethyl (4S,5R)-5-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate

ethyl (4S,5R)-5-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate (PubChem CID 11631921) has the molecular formula C17H34O6Si and a molecular weight of 362.54 g/mol. Its IUPAC name is ethyl (4S,5R)-5-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate.

Molecular Properties

Compound Nameethyl (4S,5R)-5-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
PubChem CID11631921
Molecular FormulaC17H34O6Si
Molecular Weight362.54 g/mol
Exact Mass362.21
IUPAC Nameethyl (4S,5R)-5-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
SMILESCCOC(=O)[C@H]1OC(C)(C)O[C@@H]1[C@H](O)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O6Si/c1-10-20-15(19)14-13(21-17(6,7)22-14)12(18)11(2)23-24(8,9)16(3,4)5/h11-14,18H,10H2,1-9H3/t11-,12-,13-,14+/m1/s1
InChIKeyXLWSOVLXWJYSOD-SYQHCUMBSA-N
XLogP2.84
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.54
LogP ≤ 52.84
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 ethyl (4S,5R)-5-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate?
The IUPAC name of ethyl (4S,5R)-5-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate (CID 11631921) is ethyl (4S,5R)-5-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate.
What is the SMILES notation for ethyl (4S,5R)-5-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate?
The canonical SMILES for ethyl (4S,5R)-5-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate is CCOC(=O)[C@H]1OC(C)(C)O[C@@H]1[C@H](O)[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (4S,5R)-5-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate?
The InChIKey is XLWSOVLXWJYSOD-SYQHCUMBSA-N. The full InChI is InChI=1S/C17H34O6Si/c1-10-20-15(19)14-13(21-17(6,7)22-14)12(18)11(2)23-24(8,9)16(3,4)5/h11-14,18H,10H2,1-9H3/t11-,12-,13-,14+/m1/s1.
What are the key properties of ethyl (4S,5R)-5-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate?
ethyl (4S,5R)-5-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate has a molecular weight of 362.54 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4S,5R)-5-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate is sourced from PubChem (CID 11631921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).