methyl (3R,5R)-3,5-dihydroxy-6-tri(propan-2-yl)silyloxyhexanoate

C16H34O5Si — CID 14760943

IUPACmethyl (3R,5R)-3,5-dihydroxy-6-tri(propan-2-yl)silyloxyhexanoate
SMILESCOC(=O)C[C@H](O)C[C@@H](O)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H34O5Si/c1-11(2)22(12(3)4,13(5)6)21-10-15(18)8-14(17)9-16(19)20-7/h11-15,17-18H,8-10H2,1-7H3/t14-,15-/m1/s1
InChIKeyJQYGGVNTJRBMJX-HUUCEWRRSA-N
MW334.53 g/mol
LogP2.85
Rot. Bonds10

About methyl (3R,5R)-3,5-dihydroxy-6-tri(propan-2-yl)silyloxyhexanoate

methyl (3R,5R)-3,5-dihydroxy-6-tri(propan-2-yl)silyloxyhexanoate (PubChem CID 14760943) has the molecular formula C16H34O5Si and a molecular weight of 334.53 g/mol. Its IUPAC name is methyl (3R,5R)-3,5-dihydroxy-6-tri(propan-2-yl)silyloxyhexanoate.

Molecular Properties

Compound Namemethyl (3R,5R)-3,5-dihydroxy-6-tri(propan-2-yl)silyloxyhexanoate
PubChem CID14760943
Molecular FormulaC16H34O5Si
Molecular Weight334.53 g/mol
Exact Mass334.22
IUPAC Namemethyl (3R,5R)-3,5-dihydroxy-6-tri(propan-2-yl)silyloxyhexanoate
SMILESCOC(=O)C[C@H](O)C[C@@H](O)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H34O5Si/c1-11(2)22(12(3)4,13(5)6)21-10-15(18)8-14(17)9-16(19)20-7/h11-15,17-18H,8-10H2,1-7H3/t14-,15-/m1/s1
InChIKeyJQYGGVNTJRBMJX-HUUCEWRRSA-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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Related Compounds

methyl (3R)-3-hydroxy-5-methylhexanoate
CID 10920813
methyl 2-tri(propan-2-yl)silyloxyacetate
CID 10377278
[2-hydroxy-3-tri(propan-2-yl)silyloxypropyl] propanoate
CID 101178492
dimethyl (5R,9S)-5,9-dihydroxy-3,11-dioxo-7-tri(propan-2-yl)silyloxytridecanedioate
CID 15162943
methyl (3S,5S)-3,5-dihydroxynonanoate
CID 101496571
methyl (3S,5S)-3,5-dihydroxy-6-phenoxyhexanoate
CID 134918879
methyl (3R,5S)-3,5-dihydroxyoctadecanoate
CID 102207188
(2-hydroxy-4-methoxy-4-oxobutyl) 2-methylbutanoate
CID 134215716
methyl (3S)-3-aminobutanoate;hydrochloride
CID 53487346
methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
CID 11817464
methyl 5-amino-3-hydroxypentanoate
CID 71369778
methyl (3R,5R,9R,11R)-12-hydroxy-3,5,9,11-tetramethyl-7-oxododecanoate
CID 10859571

Frequently Asked Questions

What is the IUPAC name of methyl (3R,5R)-3,5-dihydroxy-6-tri(propan-2-yl)silyloxyhexanoate?
The IUPAC name of methyl (3R,5R)-3,5-dihydroxy-6-tri(propan-2-yl)silyloxyhexanoate (CID 14760943) is methyl (3R,5R)-3,5-dihydroxy-6-tri(propan-2-yl)silyloxyhexanoate.
What is the SMILES notation for methyl (3R,5R)-3,5-dihydroxy-6-tri(propan-2-yl)silyloxyhexanoate?
The canonical SMILES for methyl (3R,5R)-3,5-dihydroxy-6-tri(propan-2-yl)silyloxyhexanoate is COC(=O)C[C@H](O)C[C@@H](O)CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of methyl (3R,5R)-3,5-dihydroxy-6-tri(propan-2-yl)silyloxyhexanoate?
The InChIKey is JQYGGVNTJRBMJX-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H34O5Si/c1-11(2)22(12(3)4,13(5)6)21-10-15(18)8-14(17)9-16(19)20-7/h11-15,17-18H,8-10H2,1-7H3/t14-,15-/m1/s1.
What are the key properties of methyl (3R,5R)-3,5-dihydroxy-6-tri(propan-2-yl)silyloxyhexanoate?
methyl (3R,5R)-3,5-dihydroxy-6-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 (3R,5R)-3,5-dihydroxy-6-tri(propan-2-yl)silyloxyhexanoate is sourced from PubChem (CID 14760943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).