methyl (3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,2-dimethylhexanoate

C15H32O4Si — CID 11231989

IUPACmethyl (3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,2-dimethylhexanoate
SMILESCOC(=O)C(C)(C)[C@H](O)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O4Si/c1-14(2,3)20(7,8)19-11-9-10-12(16)15(4,5)13(17)18-6/h12,16H,9-11H2,1-8H3/t12-/m1/s1
InChIKeyHGUSTXRUDQUCGD-GFCCVEGCSA-N
MW304.50 g/mol
LogP3.35
Rot. Bonds7

About methyl (3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,2-dimethylhexanoate

methyl (3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,2-dimethylhexanoate (PubChem CID 11231989) has the molecular formula C15H32O4Si and a molecular weight of 304.50 g/mol. Its IUPAC name is methyl (3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,2-dimethylhexanoate.

Molecular Properties

Compound Namemethyl (3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,2-dimethylhexanoate
PubChem CID11231989
Molecular FormulaC15H32O4Si
Molecular Weight304.50 g/mol
Exact Mass304.21
IUPAC Namemethyl (3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,2-dimethylhexanoate
SMILESCOC(=O)C(C)(C)[C@H](O)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O4Si/c1-14(2,3)20(7,8)19-11-9-10-12(16)15(4,5)13(17)18-6/h12,16H,9-11H2,1-8H3/t12-/m1/s1
InChIKeyHGUSTXRUDQUCGD-GFCCVEGCSA-N
XLogP3.35
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cyclohexyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]-3-hydroxy-4,4-dimethylpentanoate
CID 15936697
Ethyl 3,6-dihydroxy-2,2-dimethylhexanoate
CID 14936408
3,6-Dihydroxy-2,2,5,5-tetramethylhexanoic acid
CID 20316271
(3-Hydroxy-2,2-dimethylpropyl) 3,6-dihydroxy-2,2,5,5-tetramethylhexanoate
CID 22646011
Methyl 2,2,5,5-tetramethyl-3-trimethylsilyloxyhexanoate
CID 23297117
3,6-Dihydroxy-2,2-dimethylhexanoic acid
CID 88624725
Diethyl 2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-2-(hydroxymethyl)propanedioate
CID 88990094
(3R)-2-tert-butyl-3-[tert-butyl(dimethyl)silyl]oxy-2-ethylpentanedioic acid
CID 91132868
[3-Hydroxy-2,2-bis(hydroxymethyl)propyl] 3,6-dihydroxy-2,2,5,5-tetramethylhexanoate
CID 149758531
2,2-Dimethylpropane-1,3-diol;3-hydroxy-2,2,5,5-tetramethylhexanoic acid
CID 159259750
Bis[[4,4-dimethylpentyl(dimethyl)silyl]oxy]-dimethylsilane;[3-(3-hydroxy-4,5,5-trimethylhexanoyl)oxy-2-[(3-hydroxy-4,5,5-trimethylhexanoyl)oxymethyl]-2-methylpropyl] 3-hydroxy-4,5,5-trimethylhexanoate
CID 167557761
[3-(3-Hydroxy-2,2-dimethylpropanoyl)oxy-2,2-dimethylpropyl] 3,6-dihydroxy-2,2,5,5-tetramethylhexanoate
CID 175829501

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,2-dimethylhexanoate?
The IUPAC name of methyl (3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,2-dimethylhexanoate (CID 11231989) is methyl (3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,2-dimethylhexanoate.
What is the SMILES notation for methyl (3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,2-dimethylhexanoate?
The canonical SMILES for methyl (3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,2-dimethylhexanoate is COC(=O)C(C)(C)[C@H](O)CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,2-dimethylhexanoate?
The InChIKey is HGUSTXRUDQUCGD-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H32O4Si/c1-14(2,3)20(7,8)19-11-9-10-12(16)15(4,5)13(17)18-6/h12,16H,9-11H2,1-8H3/t12-/m1/s1.
What are the key properties of methyl (3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,2-dimethylhexanoate?
methyl (3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,2-dimethylhexanoate has a molecular weight of 304.50 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,2-dimethylhexanoate is sourced from PubChem (CID 11231989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).