ethyl (2R,3S)-2-hydroxy-3-tri(propan-2-yl)silyloxydecanoate

C21H44O4Si — CID 11825278

IUPACethyl (2R,3S)-2-hydroxy-3-tri(propan-2-yl)silyloxydecanoate
SMILESCCCCCCC[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](O)C(=O)OCC
InChIInChI=1S/C21H44O4Si/c1-9-11-12-13-14-15-19(20(22)21(23)24-10-2)25-26(16(3)4,17(5)6)18(7)8/h16-20,22H,9-15H2,1-8H3/t19-,20+/m0/s1
InChIKeyDIAIDJQYRCJEAE-VQTJNVASSA-N
MW388.67 g/mol
LogP5.83
Rot. Bonds14

About ethyl (2R,3S)-2-hydroxy-3-tri(propan-2-yl)silyloxydecanoate

ethyl (2R,3S)-2-hydroxy-3-tri(propan-2-yl)silyloxydecanoate (PubChem CID 11825278) has the molecular formula C21H44O4Si and a molecular weight of 388.67 g/mol. Its IUPAC name is ethyl (2R,3S)-2-hydroxy-3-tri(propan-2-yl)silyloxydecanoate.

Molecular Properties

Compound Nameethyl (2R,3S)-2-hydroxy-3-tri(propan-2-yl)silyloxydecanoate
PubChem CID11825278
Molecular FormulaC21H44O4Si
Molecular Weight388.67 g/mol
Exact Mass388.30
IUPAC Nameethyl (2R,3S)-2-hydroxy-3-tri(propan-2-yl)silyloxydecanoate
SMILESCCCCCCC[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](O)C(=O)OCC
InChIInChI=1S/C21H44O4Si/c1-9-11-12-13-14-15-19(20(22)21(23)24-10-2)25-26(16(3)4,17(5)6)18(7)8/h16-20,22H,9-15H2,1-8H3/t19-,20+/m0/s1
InChIKeyDIAIDJQYRCJEAE-VQTJNVASSA-N
XLogP5.83
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.67
LogP ≤ 55.83
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

Glyceryl Hydroxystearate
CID 102606
2,3-Dihydroxyoctadecanoic acid
CID 522305
Hexadecanoic acid, 1-carboxyethyl ester, monoester with 1,2,3-propanetriol
CID 102609
Octadecanoic acid, trihydroxy-
CID 147011
2,3-Dihydroxypropyl 2,2-dihydroxyoctadecanoate
CID 54115232
(3-acetyloxy-2-hydroxypropyl) (3R,8R)-3,8-dihydroxyicosanoate
CID 155518017
2,3-dihydroxypropyl (3R,8R)-3,8-dihydroxyicosanoate
CID 155521011
(3-acetyloxy-2-hydroxypropyl) (3R,8R)-3,8-dihydroxyhenicosanoate
CID 155526140
[(2S)-1-acetyloxy-3-hydroxypropan-2-yl] (3R)-3-acetyloxyoctadecanoate
CID 101491180
1-O-acetyl-2-O-[(3r,9r)-3,9-bis(acetyloxy)eicosanoyl]-sn-glycerol
CID 101491182
2-O-[(3r)-3-(acetyloxy)octadecanoyl]-glycerol
CID 101491183
1-O-acetyl-2-O-[(3r,9r)-3-(acetyloxy)-9-hydroxyeicosanoyl]-sn-glycerol
CID 101491185

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3S)-2-hydroxy-3-tri(propan-2-yl)silyloxydecanoate?
The IUPAC name of ethyl (2R,3S)-2-hydroxy-3-tri(propan-2-yl)silyloxydecanoate (CID 11825278) is ethyl (2R,3S)-2-hydroxy-3-tri(propan-2-yl)silyloxydecanoate.
What is the SMILES notation for ethyl (2R,3S)-2-hydroxy-3-tri(propan-2-yl)silyloxydecanoate?
The canonical SMILES for ethyl (2R,3S)-2-hydroxy-3-tri(propan-2-yl)silyloxydecanoate is CCCCCCC[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](O)C(=O)OCC.
What is the InChIKey of ethyl (2R,3S)-2-hydroxy-3-tri(propan-2-yl)silyloxydecanoate?
The InChIKey is DIAIDJQYRCJEAE-VQTJNVASSA-N. The full InChI is InChI=1S/C21H44O4Si/c1-9-11-12-13-14-15-19(20(22)21(23)24-10-2)25-26(16(3)4,17(5)6)18(7)8/h16-20,22H,9-15H2,1-8H3/t19-,20+/m0/s1.
What are the key properties of ethyl (2R,3S)-2-hydroxy-3-tri(propan-2-yl)silyloxydecanoate?
ethyl (2R,3S)-2-hydroxy-3-tri(propan-2-yl)silyloxydecanoate has a molecular weight of 388.67 g/mol, XLogP of 5.83, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3S)-2-hydroxy-3-tri(propan-2-yl)silyloxydecanoate is sourced from PubChem (CID 11825278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).