methyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,2-dimethylpentanoate

C14H30O4Si — CID 124629533

IUPACmethyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,2-dimethylpentanoate
SMILESCOC(=O)C(C)(C)[C@H](O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O4Si/c1-13(2,3)19(7,8)18-10-9-11(15)14(4,5)12(16)17-6/h11,15H,9-10H2,1-8H3/t11-/m1/s1
InChIKeyXJIKOONPHLRYKP-LLVKDONJSA-N
MW290.48 g/mol
LogP2.96
Rot. Bonds6

About methyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,2-dimethylpentanoate

methyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,2-dimethylpentanoate (PubChem CID 124629533) has the molecular formula C14H30O4Si and a molecular weight of 290.48 g/mol. Its IUPAC name is methyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,2-dimethylpentanoate.

Molecular Properties

Compound Namemethyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,2-dimethylpentanoate
PubChem CID124629533
Molecular FormulaC14H30O4Si
Molecular Weight290.48 g/mol
Exact Mass290.19
IUPAC Namemethyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,2-dimethylpentanoate
SMILESCOC(=O)C(C)(C)[C@H](O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O4Si/c1-13(2,3)19(7,8)18-10-9-11(15)14(4,5)12(16)17-6/h11,15H,9-10H2,1-8H3/t11-/m1/s1
InChIKeyXJIKOONPHLRYKP-LLVKDONJSA-N
XLogP2.96
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(3S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpentane-2,3-diol
CID 71545770
ethyl (2S,3R)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylpentanoate
CID 11210874
methyl 5-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
CID 14234520
(3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyhexan-2-one
CID 16756247
methyl (4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanoate
CID 11219571
methyl (3S)-3-hydroxy-2,2-dimethyloctanoate
CID 101168876
methyl (2R,3R)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate
CID 134934318
(2S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol
CID 163365178
(3R,5S)-7-[tert-butyl(dimethyl)silyl]oxy-1,1-dimethoxy-3,5-dimethylheptan-4-one
CID 138968890
(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-one
CID 11672982
methyl (4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate
CID 11737070
3-O-[2-[tert-butyl(dimethyl)silyl]oxyethyl] 1-O-(2-methoxyethyl) propanedioate
CID 59364516

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,2-dimethylpentanoate?
The IUPAC name of methyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,2-dimethylpentanoate (CID 124629533) is methyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,2-dimethylpentanoate.
What is the SMILES notation for methyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,2-dimethylpentanoate?
The canonical SMILES for methyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,2-dimethylpentanoate is COC(=O)C(C)(C)[C@H](O)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,2-dimethylpentanoate?
The InChIKey is XJIKOONPHLRYKP-LLVKDONJSA-N. The full InChI is InChI=1S/C14H30O4Si/c1-13(2,3)19(7,8)18-10-9-11(15)14(4,5)12(16)17-6/h11,15H,9-10H2,1-8H3/t11-/m1/s1.
What are the key properties of methyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,2-dimethylpentanoate?
methyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,2-dimethylpentanoate has a molecular weight of 290.48 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,2-dimethylpentanoate is sourced from PubChem (CID 124629533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).