ethyl (3R)-5-hydroxy-2,2-dimethyl-3-trimethylsilyloxypentanoate

C12H26O4Si — CID 101484310

IUPACethyl (3R)-5-hydroxy-2,2-dimethyl-3-trimethylsilyloxypentanoate
SMILESCCOC(=O)C(C)(C)[C@@H](CCO)O[Si](C)(C)C
InChIInChI=1S/C12H26O4Si/c1-7-15-11(14)12(2,3)10(8-9-13)16-17(4,5)6/h10,13H,7-9H2,1-6H3/t10-/m1/s1
InChIKeyARFNVEIFAOVAOM-SNVBAGLBSA-N
MW262.42 g/mol
LogP2.18
Rot. Bonds7

About ethyl (3R)-5-hydroxy-2,2-dimethyl-3-trimethylsilyloxypentanoate

ethyl (3R)-5-hydroxy-2,2-dimethyl-3-trimethylsilyloxypentanoate (PubChem CID 101484310) has the molecular formula C12H26O4Si and a molecular weight of 262.42 g/mol. Its IUPAC name is ethyl (3R)-5-hydroxy-2,2-dimethyl-3-trimethylsilyloxypentanoate.

Molecular Properties

Compound Nameethyl (3R)-5-hydroxy-2,2-dimethyl-3-trimethylsilyloxypentanoate
PubChem CID101484310
Molecular FormulaC12H26O4Si
Molecular Weight262.42 g/mol
Exact Mass262.16
IUPAC Nameethyl (3R)-5-hydroxy-2,2-dimethyl-3-trimethylsilyloxypentanoate
SMILESCCOC(=O)C(C)(C)[C@@H](CCO)O[Si](C)(C)C
InChIInChI=1S/C12H26O4Si/c1-7-15-11(14)12(2,3)10(8-9-13)16-17(4,5)6/h10,13H,7-9H2,1-6H3/t10-/m1/s1
InChIKeyARFNVEIFAOVAOM-SNVBAGLBSA-N
XLogP2.18
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (3R)-2,2-dimethyl-3-trimethylsilyloxyoct-7-enoate
CID 11601670
ethyl (3S)-3,5-dihydroxy-2,2-dimethylpentanoate
CID 131852903
ethyl 3-ethoxycarbonyloxy-2,2-dimethylhexanoate
CID 122517339
(5S)-4,4-dimethyl-5,7-bis(trimethylsilyloxy)heptan-3-one
CID 11151311
ethyl (2S,3R)-2-bromo-2,4-dimethyl-3-trimethylsilyloxypentanoate
CID 101120407
diethyl 2,3-dimethyl-2,3-bis(trimethylsilyloxy)butanedioate
CID 139989242
4-ethoxy-2,3,3-trimethyl-4-oxobutanoic acid
CID 22889431
diethyl 2,2,3-trimethylpentanedioate
CID 13244610
ethyl (3R)-3-hydroxy-2,2,4-trimethylpentanoate
CID 3246222
ethyl 3-bromo-2,2-dimethylheptanoate
CID 167616501
ethyl 3-butyl-2,2-dimethyloctanoate
CID 170228697
diethyl 3-(1-ethoxy-2-methyl-1-oxopropan-2-yl)-2,2,5,5-tetramethylhexanedioate
CID 141254947

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-5-hydroxy-2,2-dimethyl-3-trimethylsilyloxypentanoate?
The IUPAC name of ethyl (3R)-5-hydroxy-2,2-dimethyl-3-trimethylsilyloxypentanoate (CID 101484310) is ethyl (3R)-5-hydroxy-2,2-dimethyl-3-trimethylsilyloxypentanoate.
What is the SMILES notation for ethyl (3R)-5-hydroxy-2,2-dimethyl-3-trimethylsilyloxypentanoate?
The canonical SMILES for ethyl (3R)-5-hydroxy-2,2-dimethyl-3-trimethylsilyloxypentanoate is CCOC(=O)C(C)(C)[C@@H](CCO)O[Si](C)(C)C.
What is the InChIKey of ethyl (3R)-5-hydroxy-2,2-dimethyl-3-trimethylsilyloxypentanoate?
The InChIKey is ARFNVEIFAOVAOM-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H26O4Si/c1-7-15-11(14)12(2,3)10(8-9-13)16-17(4,5)6/h10,13H,7-9H2,1-6H3/t10-/m1/s1.
What are the key properties of ethyl (3R)-5-hydroxy-2,2-dimethyl-3-trimethylsilyloxypentanoate?
ethyl (3R)-5-hydroxy-2,2-dimethyl-3-trimethylsilyloxypentanoate has a molecular weight of 262.42 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-5-hydroxy-2,2-dimethyl-3-trimethylsilyloxypentanoate is sourced from PubChem (CID 101484310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).