methyl (4S,5R)-4,6-dihydroxy-5-tri(propan-2-yl)silyloxyhexanoate

C16H34O5Si — CID 59558891

IUPACmethyl (4S,5R)-4,6-dihydroxy-5-tri(propan-2-yl)silyloxyhexanoate
SMILESCOC(=O)CC[C@H](O)[C@@H](CO)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H34O5Si/c1-11(2)22(12(3)4,13(5)6)21-15(10-17)14(18)8-9-16(19)20-7/h11-15,17-18H,8-10H2,1-7H3/t14-,15+/m0/s1
InChIKeyMJTFYLDQRWMYGL-LSDHHAIUSA-N
MW334.53 g/mol
LogP2.85
Rot. Bonds10

About methyl (4S,5R)-4,6-dihydroxy-5-tri(propan-2-yl)silyloxyhexanoate

methyl (4S,5R)-4,6-dihydroxy-5-tri(propan-2-yl)silyloxyhexanoate (PubChem CID 59558891) has the molecular formula C16H34O5Si and a molecular weight of 334.53 g/mol. Its IUPAC name is methyl (4S,5R)-4,6-dihydroxy-5-tri(propan-2-yl)silyloxyhexanoate.

Molecular Properties

Compound Namemethyl (4S,5R)-4,6-dihydroxy-5-tri(propan-2-yl)silyloxyhexanoate
PubChem CID59558891
Molecular FormulaC16H34O5Si
Molecular Weight334.53 g/mol
Exact Mass334.22
IUPAC Namemethyl (4S,5R)-4,6-dihydroxy-5-tri(propan-2-yl)silyloxyhexanoate
SMILESCOC(=O)CC[C@H](O)[C@@H](CO)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H34O5Si/c1-11(2)22(12(3)4,13(5)6)21-15(10-17)14(18)8-9-16(19)20-7/h11-15,17-18H,8-10H2,1-7H3/t14-,15+/m0/s1
InChIKeyMJTFYLDQRWMYGL-LSDHHAIUSA-N
XLogP2.85
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.53
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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,5R)-4,6-dihydroxy-5-tri(propan-2-yl)silyloxyhexanoate?
The IUPAC name of methyl (4S,5R)-4,6-dihydroxy-5-tri(propan-2-yl)silyloxyhexanoate (CID 59558891) is methyl (4S,5R)-4,6-dihydroxy-5-tri(propan-2-yl)silyloxyhexanoate.
What is the SMILES notation for methyl (4S,5R)-4,6-dihydroxy-5-tri(propan-2-yl)silyloxyhexanoate?
The canonical SMILES for methyl (4S,5R)-4,6-dihydroxy-5-tri(propan-2-yl)silyloxyhexanoate is COC(=O)CC[C@H](O)[C@@H](CO)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of methyl (4S,5R)-4,6-dihydroxy-5-tri(propan-2-yl)silyloxyhexanoate?
The InChIKey is MJTFYLDQRWMYGL-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H34O5Si/c1-11(2)22(12(3)4,13(5)6)21-15(10-17)14(18)8-9-16(19)20-7/h11-15,17-18H,8-10H2,1-7H3/t14-,15+/m0/s1.
What are the key properties of methyl (4S,5R)-4,6-dihydroxy-5-tri(propan-2-yl)silyloxyhexanoate?
methyl (4S,5R)-4,6-dihydroxy-5-tri(propan-2-yl)silyloxyhexanoate has a molecular weight of 334.53 g/mol, XLogP of 2.85, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S,5R)-4,6-dihydroxy-5-tri(propan-2-yl)silyloxyhexanoate is sourced from PubChem (CID 59558891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).