methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoate

C14H30O3Si — CID 101115916

IUPACmethyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoate
SMILESCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)OC
InChIInChI=1S/C14H30O3Si/c1-9-10-12(11(2)13(15)16-6)17-18(7,8)14(3,4)5/h11-12H,9-10H2,1-8H3/t11-,12-/m1/s1
InChIKeyHGEAHLTUDYRPMW-VXGBXAGGSA-N
MW274.48 g/mol
LogP3.99
Rot. Bonds6

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

methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoate (PubChem CID 101115916) has the molecular formula C14H30O3Si and a molecular weight of 274.48 g/mol. Its IUPAC name is methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoate.

Molecular Properties

Compound Namemethyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoate
PubChem CID101115916
Molecular FormulaC14H30O3Si
Molecular Weight274.48 g/mol
Exact Mass274.20
IUPAC Namemethyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoate
SMILESCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)OC
InChIInChI=1S/C14H30O3Si/c1-9-10-12(11(2)13(15)16-6)17-18(7,8)14(3,4)5/h11-12H,9-10H2,1-8H3/t11-,12-/m1/s1
InChIKeyHGEAHLTUDYRPMW-VXGBXAGGSA-N
XLogP3.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
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 (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate
CID 14264897
methyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate
CID 46918429
methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-phenylmethoxybutanoate
CID 164887761
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoic acid
CID 100971723
(2S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4-methyloctan-3-one
CID 102064835
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
CID 11128611
3-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexan-1-ol
CID 146163917
dimethyl 2-[(2S,4S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylhexyl]propanedioate
CID 11235051
methyl 4-[tert-butyl(dimethyl)silyl]oxy-2-oxoheptanoate
CID 10708520
methyl (2R,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 10879449
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethylhex-3-enoate
CID 139263493
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-yloxypropanoate
CID 59279534

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoate?
The IUPAC name of methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoate (CID 101115916) is methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoate.
What is the SMILES notation for methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoate?
The canonical SMILES for methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoate is CCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)OC.
What is the InChIKey of methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoate?
The InChIKey is HGEAHLTUDYRPMW-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H30O3Si/c1-9-10-12(11(2)13(15)16-6)17-18(7,8)14(3,4)5/h11-12H,9-10H2,1-8H3/t11-,12-/m1/s1.
What are the key properties of methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoate?
methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoate has a molecular weight of 274.48 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoate is sourced from PubChem (CID 101115916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).