methyl (5R,6R)-5-hydroxy-3-oxo-6-tri(propan-2-yl)silyloxyheptanoate

C17H34O5Si — CID 134880975

IUPACmethyl (5R,6R)-5-hydroxy-3-oxo-6-tri(propan-2-yl)silyloxyheptanoate
SMILESCOC(=O)CC(=O)C[C@@H](O)[C@@H](C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H34O5Si/c1-11(2)23(12(3)4,13(5)6)22-14(7)16(19)9-15(18)10-17(20)21-8/h11-14,16,19H,9-10H2,1-8H3/t14-,16-/m1/s1
InChIKeyRYCJYICLWUEXPF-GDBMZVCRSA-N
MW346.54 g/mol
LogP3.45
Rot. Bonds10

About methyl (5R,6R)-5-hydroxy-3-oxo-6-tri(propan-2-yl)silyloxyheptanoate

methyl (5R,6R)-5-hydroxy-3-oxo-6-tri(propan-2-yl)silyloxyheptanoate (PubChem CID 134880975) has the molecular formula C17H34O5Si and a molecular weight of 346.54 g/mol. Its IUPAC name is methyl (5R,6R)-5-hydroxy-3-oxo-6-tri(propan-2-yl)silyloxyheptanoate.

Molecular Properties

Compound Namemethyl (5R,6R)-5-hydroxy-3-oxo-6-tri(propan-2-yl)silyloxyheptanoate
PubChem CID134880975
Molecular FormulaC17H34O5Si
Molecular Weight346.54 g/mol
Exact Mass346.22
IUPAC Namemethyl (5R,6R)-5-hydroxy-3-oxo-6-tri(propan-2-yl)silyloxyheptanoate
SMILESCOC(=O)CC(=O)C[C@@H](O)[C@@H](C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H34O5Si/c1-11(2)23(12(3)4,13(5)6)22-14(7)16(19)9-15(18)10-17(20)21-8/h11-14,16,19H,9-10H2,1-8H3/t14-,16-/m1/s1
InChIKeyRYCJYICLWUEXPF-GDBMZVCRSA-N
XLogP3.45
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.54
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(5S, 6R) Methyl 5,6-di(tert-butyldimethylsiloxy)-7-hydroxyheptanoate
CID 86598272
dimethyl (5R,9S)-5,9-dihydroxy-3,11-dioxo-7-tri(propan-2-yl)silyloxytridecanedioate
CID 15162943
Methyl (5r)-5-[t-butyl(dimethyl)silyloxy]-3-oxodecanoate
CID 23241629
Methyl (5s)-5-[t-butyl(dimethyl)silyloxy]-3-oxodecanoate
CID 129750370
Methyl (5s)-5-{[t-butyl(dimethyl)silyl]-oxy}-3-oxohexadecanoate
CID 129759212
methyl (3R,5R,6R)-3,5-dihydroxy-6-tri(propan-2-yl)silyloxyheptanoate
CID 134930704
methyl (3S,5R,6R)-3,5-dihydroxy-6-tri(propan-2-yl)silyloxyheptanoate
CID 134930705
methyl (3R,5R)-5-(t-butyldimethylsiloxy)-3-hydroxydocosanoate
CID 54058510
methyl (3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhexadecanoate
CID 57164701
methyl (4S,5R)-4,6-dihydroxy-5-tri(propan-2-yl)silyloxyhexanoate
CID 59558891
Methyl 5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-7-hydroxyheptanoate
CID 87974430
dimethyl (3R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-3,7-dihydroxynonanedioate
CID 90930643

Frequently Asked Questions

What is the IUPAC name of methyl (5R,6R)-5-hydroxy-3-oxo-6-tri(propan-2-yl)silyloxyheptanoate?
The IUPAC name of methyl (5R,6R)-5-hydroxy-3-oxo-6-tri(propan-2-yl)silyloxyheptanoate (CID 134880975) is methyl (5R,6R)-5-hydroxy-3-oxo-6-tri(propan-2-yl)silyloxyheptanoate.
What is the SMILES notation for methyl (5R,6R)-5-hydroxy-3-oxo-6-tri(propan-2-yl)silyloxyheptanoate?
The canonical SMILES for methyl (5R,6R)-5-hydroxy-3-oxo-6-tri(propan-2-yl)silyloxyheptanoate is COC(=O)CC(=O)C[C@@H](O)[C@@H](C)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of methyl (5R,6R)-5-hydroxy-3-oxo-6-tri(propan-2-yl)silyloxyheptanoate?
The InChIKey is RYCJYICLWUEXPF-GDBMZVCRSA-N. The full InChI is InChI=1S/C17H34O5Si/c1-11(2)23(12(3)4,13(5)6)22-14(7)16(19)9-15(18)10-17(20)21-8/h11-14,16,19H,9-10H2,1-8H3/t14-,16-/m1/s1.
What are the key properties of methyl (5R,6R)-5-hydroxy-3-oxo-6-tri(propan-2-yl)silyloxyheptanoate?
methyl (5R,6R)-5-hydroxy-3-oxo-6-tri(propan-2-yl)silyloxyheptanoate has a molecular weight of 346.54 g/mol, XLogP of 3.45, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5R,6R)-5-hydroxy-3-oxo-6-tri(propan-2-yl)silyloxyheptanoate is sourced from PubChem (CID 134880975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).