methyl (2R,3R)-2,3-dihydroxy-2-methyl-3-trimethylsilyldodecanoate

C17H36O4Si — CID 101200540

IUPACmethyl (2R,3R)-2,3-dihydroxy-2-methyl-3-trimethylsilyldodecanoate
SMILESCCCCCCCCC[C@](O)([C@](C)(O)C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C17H36O4Si/c1-7-8-9-10-11-12-13-14-17(20,22(4,5)6)16(2,19)15(18)21-3/h19-20H,7-14H2,1-6H3/t16-,17-/m1/s1
InChIKeyWAMBAJPCSJTKBB-IAGOWNOFSA-N
MW332.56 g/mol
LogP3.66
Rot. Bonds11

About methyl (2R,3R)-2,3-dihydroxy-2-methyl-3-trimethylsilyldodecanoate

methyl (2R,3R)-2,3-dihydroxy-2-methyl-3-trimethylsilyldodecanoate (PubChem CID 101200540) has the molecular formula C17H36O4Si and a molecular weight of 332.56 g/mol. Its IUPAC name is methyl (2R,3R)-2,3-dihydroxy-2-methyl-3-trimethylsilyldodecanoate.

Molecular Properties

Compound Namemethyl (2R,3R)-2,3-dihydroxy-2-methyl-3-trimethylsilyldodecanoate
PubChem CID101200540
Molecular FormulaC17H36O4Si
Molecular Weight332.56 g/mol
Exact Mass332.24
IUPAC Namemethyl (2R,3R)-2,3-dihydroxy-2-methyl-3-trimethylsilyldodecanoate
SMILESCCCCCCCCC[C@](O)([C@](C)(O)C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C17H36O4Si/c1-7-8-9-10-11-12-13-14-17(20,22(4,5)6)16(2,19)15(18)21-3/h19-20H,7-14H2,1-6H3/t16-,17-/m1/s1
InChIKeyWAMBAJPCSJTKBB-IAGOWNOFSA-N
XLogP3.66
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.56
LogP ≤ 53.66
H-Bond Donors ≤ 52
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

Methyl formyloxycarboxystearate
CID 21437764
Octadecyl glycerol ether
CID 87157581
ss-Cetylglycerinather
CID 129650551
a-Tetradecylglyceryl ether
CID 129728113
a-Docosylglyceryl ether
CID 129728121
Glycerol hydroxymethylhydroxystearate
CID 129727477
Methyl 2-hydroxybehenic acid methyl ester
CID 129882074
Tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyoctanoate
CID 134996680
(2S,5S)-2-tert-butyl-5-[(1R)-1-hydroxy-1-trimethylsilyldecyl]-2,5-dimethyl-1,3-dioxolan-4-one
CID 134998310
Tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methyloctanoate
CID 135069748
methyl (2S,3R)-2-hydroxy-3-tri(propan-2-yl)silyloxydecanoate
CID 145996475
Hexadecanoic acid, 2-hydroxy-2-methyl, methyl ester
CID 530318

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-2,3-dihydroxy-2-methyl-3-trimethylsilyldodecanoate?
The IUPAC name of methyl (2R,3R)-2,3-dihydroxy-2-methyl-3-trimethylsilyldodecanoate (CID 101200540) is methyl (2R,3R)-2,3-dihydroxy-2-methyl-3-trimethylsilyldodecanoate.
What is the SMILES notation for methyl (2R,3R)-2,3-dihydroxy-2-methyl-3-trimethylsilyldodecanoate?
The canonical SMILES for methyl (2R,3R)-2,3-dihydroxy-2-methyl-3-trimethylsilyldodecanoate is CCCCCCCCC[C@](O)([C@](C)(O)C(=O)OC)[Si](C)(C)C.
What is the InChIKey of methyl (2R,3R)-2,3-dihydroxy-2-methyl-3-trimethylsilyldodecanoate?
The InChIKey is WAMBAJPCSJTKBB-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H36O4Si/c1-7-8-9-10-11-12-13-14-17(20,22(4,5)6)16(2,19)15(18)21-3/h19-20H,7-14H2,1-6H3/t16-,17-/m1/s1.
What are the key properties of methyl (2R,3R)-2,3-dihydroxy-2-methyl-3-trimethylsilyldodecanoate?
methyl (2R,3R)-2,3-dihydroxy-2-methyl-3-trimethylsilyldodecanoate has a molecular weight of 332.56 g/mol, XLogP of 3.66, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R)-2,3-dihydroxy-2-methyl-3-trimethylsilyldodecanoate is sourced from PubChem (CID 101200540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).