methyl (4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanoate

C14H30O3Si — CID 11219571

IUPACmethyl (4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanoate
SMILESCOC(=O)CC[C@@H](C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O3Si/c1-12(8-9-13(15)16-5)10-11-17-18(6,7)14(2,3)4/h12H,8-11H2,1-7H3/t12-/m1/s1
InChIKeySHLXXJDOGTWLIG-GFCCVEGCSA-N
MW274.48 g/mol
LogP3.99
Rot. Bonds7

About methyl (4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanoate

methyl (4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanoate (PubChem CID 11219571) has the molecular formula C14H30O3Si and a molecular weight of 274.48 g/mol. Its IUPAC name is methyl (4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanoate.

Molecular Properties

Compound Namemethyl (4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanoate
PubChem CID11219571
Molecular FormulaC14H30O3Si
Molecular Weight274.48 g/mol
Exact Mass274.20
IUPAC Namemethyl (4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanoate
SMILESCOC(=O)CC[C@@H](C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O3Si/c1-12(8-9-13(15)16-5)10-11-17-18(6,7)14(2,3)4/h12H,8-11H2,1-7H3/t12-/m1/s1
InChIKeySHLXXJDOGTWLIG-GFCCVEGCSA-N
XLogP3.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.48
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate
CID 11737070
methyl 5-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
CID 14234520
dimethyl 4-methylheptanedioate
CID 521222
methyl (4R)-6-methoxy-4-methylhexanoate
CID 10931927
ethyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
CID 101084181
methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
CID 11817464
[(3R)-4-bromo-3-methylbutoxy]-tert-butyl-dimethylsilane
CID 10902026
dimethyl 4,9-dimethyldodecanedioate
CID 102494316
methyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,2-dimethylpentanoate
CID 124629533
tert-butyl-dimethyl-(3-methylhept-5-enoxy)silane
CID 57087962
(E,2R,5S)-7-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhept-3-en-1-ol
CID 135045339
4-O-[tert-butyl(dimethyl)silyl] 1-O-methyl butanedioate
CID 87697847

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanoate?
The IUPAC name of methyl (4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanoate (CID 11219571) is methyl (4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanoate.
What is the SMILES notation for methyl (4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanoate?
The canonical SMILES for methyl (4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanoate is COC(=O)CC[C@@H](C)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanoate?
The InChIKey is SHLXXJDOGTWLIG-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H30O3Si/c1-12(8-9-13(15)16-5)10-11-17-18(6,7)14(2,3)4/h12H,8-11H2,1-7H3/t12-/m1/s1.
What are the key properties of methyl (4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanoate?
methyl (4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanoate has a molecular weight of 274.48 g/mol, XLogP of 3.99, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanoate is sourced from PubChem (CID 11219571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).