ethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentanoate;ethyl 4,5-dihydroxypentanoate

C20H42O8Si — CID 158562183

IUPACethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentanoate;ethyl 4,5-dihydroxypentanoate
SMILESCCOC(=O)CCC(O)CO.CCOC(=O)CCC(O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O4Si.C7H14O4/c1-7-16-12(15)9-8-11(14)10-17-18(5,6)13(2,3)4;1-2-11-7(10)4-3-6(9)5-8/h11,14H,7-10H2,1-6H3;6,8-9H,2-5H2,1H3
InChIKeyHRADRTTZIIIYNJ-UHFFFAOYSA-N
MW438.63 g/mol
LogP2.40
Rot. Bonds12

About ethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentanoate;ethyl 4,5-dihydroxypentanoate

ethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentanoate;ethyl 4,5-dihydroxypentanoate (PubChem CID 158562183) has the molecular formula C20H42O8Si and a molecular weight of 438.63 g/mol. Its IUPAC name is ethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentanoate;ethyl 4,5-dihydroxypentanoate.

Molecular Properties

Compound Nameethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentanoate;ethyl 4,5-dihydroxypentanoate
PubChem CID158562183
Molecular FormulaC20H42O8Si
Molecular Weight438.63 g/mol
Exact Mass438.26
IUPAC Nameethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentanoate;ethyl 4,5-dihydroxypentanoate
SMILESCCOC(=O)CCC(O)CO.CCOC(=O)CCC(O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O4Si.C7H14O4/c1-7-16-12(15)9-8-11(14)10-17-18(5,6)13(2,3)4;1-2-11-7(10)4-3-6(9)5-8/h11,14H,7-10H2,1-6H3;6,8-9H,2-5H2,1H3
InChIKeyHRADRTTZIIIYNJ-UHFFFAOYSA-N
XLogP2.40
TPSA122.52 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.63
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-[tert-butyl(dimethyl)silyl]oxypentan-2-ol
CID 10608878
ethyl 4-hydroxy-6-methoxy-6-methylheptanoate
CID 106676235
ethyl 4-hydroxy-6,6-dimethylheptanoate
CID 62966009
[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] tetradecanoate
CID 11015240
ethyl (E,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2-methylhept-2-enoate
CID 11580515
ethyl (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate
CID 11278132
ethyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enoate
CID 11558121
ethyl 3-hydroxypropanoate;propane-1,2,3-triol
CID 161267681
ethyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
CID 101084181
[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] carbamate
CID 175506306
sodium;ethyl 13,14-dihydroxytetradecanoate;hydride
CID 173047367
ethyl (4R,7S,8S)-7,9-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-4,8-dimethylnonanoate
CID 102469145

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentanoate;ethyl 4,5-dihydroxypentanoate?
The IUPAC name of ethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentanoate;ethyl 4,5-dihydroxypentanoate (CID 158562183) is ethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentanoate;ethyl 4,5-dihydroxypentanoate.
What is the SMILES notation for ethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentanoate;ethyl 4,5-dihydroxypentanoate?
The canonical SMILES for ethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentanoate;ethyl 4,5-dihydroxypentanoate is CCOC(=O)CCC(O)CO.CCOC(=O)CCC(O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentanoate;ethyl 4,5-dihydroxypentanoate?
The InChIKey is HRADRTTZIIIYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O4Si.C7H14O4/c1-7-16-12(15)9-8-11(14)10-17-18(5,6)13(2,3)4;1-2-11-7(10)4-3-6(9)5-8/h11,14H,7-10H2,1-6H3;6,8-9H,2-5H2,1H3.
What are the key properties of ethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentanoate;ethyl 4,5-dihydroxypentanoate?
ethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentanoate;ethyl 4,5-dihydroxypentanoate has a molecular weight of 438.63 g/mol, XLogP of 2.40, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentanoate;ethyl 4,5-dihydroxypentanoate is sourced from PubChem (CID 158562183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).