ethyl (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoct-6-enoate

C16H32O4Si — CID 10018686

IUPACethyl (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoct-6-enoate
SMILESC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CCC(=O)OCC
InChIInChI=1S/C16H32O4Si/c1-8-10-14(20-21(6,7)16(3,4)5)13(17)11-12-15(18)19-9-2/h8,10,13-14,17H,9,11-12H2,1-7H3/b10-8+/t13-,14-/m1/s1
InChIKeyGXHQTSLOZKFIDO-CJDRZLIDSA-N
MW316.51 g/mol
LogP3.66
Rot. Bonds8

About ethyl (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoct-6-enoate

ethyl (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoct-6-enoate (PubChem CID 10018686) has the molecular formula C16H32O4Si and a molecular weight of 316.51 g/mol. Its IUPAC name is ethyl (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoct-6-enoate.

Molecular Properties

Compound Nameethyl (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoct-6-enoate
PubChem CID10018686
Molecular FormulaC16H32O4Si
Molecular Weight316.51 g/mol
Exact Mass316.21
IUPAC Nameethyl (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoct-6-enoate
SMILESC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CCC(=O)OCC
InChIInChI=1S/C16H32O4Si/c1-8-10-14(20-21(6,7)16(3,4)5)13(17)11-12-15(18)19-9-2/h8,10,13-14,17H,9,11-12H2,1-7H3/b10-8+/t13-,14-/m1/s1
InChIKeyGXHQTSLOZKFIDO-CJDRZLIDSA-N
XLogP3.66
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,4E,6R,7S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-2-methyl-2,3,6,7,8,9-hexahydrooxecin-10-one
CID 10599440
(2R,3S,4E,6R,7S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-2-methyl-2,3,6,7,8,9-hexahydrooxecin-10-one
CID 10599439
methyl (3S,5R,6E,8E)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxytetradeca-6,8-dienoate
CID 25199404
(E,5S,9R)-5-[tert-butyl(dimethyl)silyl]oxy-9-hydroxydodec-6-enoic acid
CID 57326433
(2R,4E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-propyl-2,3,6,7,8,9-hexahydrooxecin-10-one
CID 57326434
[(2S,3R)-3-(2-methoxyethoxymethoxy)pent-4-en-2-yl] (4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhexanoate
CID 135028262
[(E,2R,3S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-6-[(2S)-5-oxooxolan-2-yl]hex-4-en-3-yl] (E)-but-2-enoate
CID 154709333
(5S)-5-[(E,1R,4S,5R)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxyhex-2-enyl]oxolan-2-one
CID 154709337
(E,2S,3R,4R,5S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-2-methoxy-8-methylnon-6-enoic acid
CID 11135683
[(2R)-1-hydroxypropan-2-yl] (E,4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-iodohept-6-enoate
CID 11801215
methyl (6Z,8E,10E,12S)-5,12-dihydroxy-7-methyl-13-trimethylsilyltrideca-6,8,10-trienoate
CID 88894116
ethyl (5S,6E,8E,10R)-5,10-dihydroxy-11-trimethylsilylundeca-6,8-dienoate
CID 88894135

Frequently Asked Questions

What is the IUPAC name of ethyl (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoct-6-enoate?
The IUPAC name of ethyl (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoct-6-enoate (CID 10018686) is ethyl (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoct-6-enoate.
What is the SMILES notation for ethyl (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoct-6-enoate?
The canonical SMILES for ethyl (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoct-6-enoate is C/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CCC(=O)OCC.
What is the InChIKey of ethyl (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoct-6-enoate?
The InChIKey is GXHQTSLOZKFIDO-CJDRZLIDSA-N. The full InChI is InChI=1S/C16H32O4Si/c1-8-10-14(20-21(6,7)16(3,4)5)13(17)11-12-15(18)19-9-2/h8,10,13-14,17H,9,11-12H2,1-7H3/b10-8+/t13-,14-/m1/s1.
What are the key properties of ethyl (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoct-6-enoate?
ethyl (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoct-6-enoate has a molecular weight of 316.51 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoct-6-enoate is sourced from PubChem (CID 10018686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).