benzyl (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]hexanoate

C21H36O4Si — CID 102409230

IUPACbenzyl (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]hexanoate
SMILESCCCC[C@@H](C(=O)OCc1ccccc1)[C@H](CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H36O4Si/c1-7-8-14-18(19(15-22)25-26(5,6)21(2,3)4)20(23)24-16-17-12-10-9-11-13-17/h9-13,18-19,22H,7-8,14-16H2,1-6H3/t18-,19+/m1/s1
InChIKeyBOWXKCCJSHRBFP-MOPGFXCFSA-N
MW380.60 g/mol
LogP4.92
Rot. Bonds10

About benzyl (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]hexanoate

benzyl (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]hexanoate (PubChem CID 102409230) has the molecular formula C21H36O4Si and a molecular weight of 380.60 g/mol. Its IUPAC name is benzyl (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]hexanoate.

Molecular Properties

Compound Namebenzyl (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]hexanoate
PubChem CID102409230
Molecular FormulaC21H36O4Si
Molecular Weight380.60 g/mol
Exact Mass380.24
IUPAC Namebenzyl (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]hexanoate
SMILESCCCC[C@@H](C(=O)OCc1ccccc1)[C@H](CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H36O4Si/c1-7-8-14-18(19(15-22)25-26(5,6)21(2,3)4)20(23)24-16-17-12-10-9-11-13-17/h9-13,18-19,22H,7-8,14-16H2,1-6H3/t18-,19+/m1/s1
InChIKeyBOWXKCCJSHRBFP-MOPGFXCFSA-N
XLogP4.92
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.60
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]hexanoate?
The IUPAC name of benzyl (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]hexanoate (CID 102409230) is benzyl (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]hexanoate.
What is the SMILES notation for benzyl (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]hexanoate?
The canonical SMILES for benzyl (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]hexanoate is CCCC[C@@H](C(=O)OCc1ccccc1)[C@H](CO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of benzyl (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]hexanoate?
The InChIKey is BOWXKCCJSHRBFP-MOPGFXCFSA-N. The full InChI is InChI=1S/C21H36O4Si/c1-7-8-14-18(19(15-22)25-26(5,6)21(2,3)4)20(23)24-16-17-12-10-9-11-13-17/h9-13,18-19,22H,7-8,14-16H2,1-6H3/t18-,19+/m1/s1.
What are the key properties of benzyl (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]hexanoate?
benzyl (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]hexanoate has a molecular weight of 380.60 g/mol, XLogP of 4.92, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]hexanoate is sourced from PubChem (CID 102409230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).