methyl (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)pentanoate

C14H30O5Si — CID 134916473

IUPACmethyl (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)pentanoate
SMILESCOCO[C@@H](CC(=O)OC)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O5Si/c1-11(19-20(7,8)14(2,3)4)12(18-10-16-5)9-13(15)17-6/h11-12H,9-10H2,1-8H3/t11-,12-/m0/s1
InChIKeyBERZTGHELRDWCE-RYUDHWBXSA-N
MW306.48 g/mol
LogP2.95
Rot. Bonds8

About methyl (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)pentanoate

methyl (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)pentanoate (PubChem CID 134916473) has the molecular formula C14H30O5Si and a molecular weight of 306.48 g/mol. Its IUPAC name is methyl (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)pentanoate.

Molecular Properties

Compound Namemethyl (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)pentanoate
PubChem CID134916473
Molecular FormulaC14H30O5Si
Molecular Weight306.48 g/mol
Exact Mass306.19
IUPAC Namemethyl (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)pentanoate
SMILESCOCO[C@@H](CC(=O)OC)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O5Si/c1-11(19-20(7,8)14(2,3)4)12(18-10-16-5)9-13(15)17-6/h11-12H,9-10H2,1-8H3/t11-,12-/m0/s1
InChIKeyBERZTGHELRDWCE-RYUDHWBXSA-N
XLogP2.95
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)pentanoate?
The IUPAC name of methyl (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)pentanoate (CID 134916473) is methyl (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)pentanoate.
What is the SMILES notation for methyl (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)pentanoate?
The canonical SMILES for methyl (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)pentanoate is COCO[C@@H](CC(=O)OC)[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)pentanoate?
The InChIKey is BERZTGHELRDWCE-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H30O5Si/c1-11(19-20(7,8)14(2,3)4)12(18-10-16-5)9-13(15)17-6/h11-12H,9-10H2,1-8H3/t11-,12-/m0/s1.
What are the key properties of methyl (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)pentanoate?
methyl (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)pentanoate has a molecular weight of 306.48 g/mol, XLogP of 2.95, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)pentanoate is sourced from PubChem (CID 134916473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).