methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(5R)-5-hydroxy-4,4-dimethyl-1,3-dioxan-5-yl]-3-methylpent-2-enoate

C19H36O6Si — CID 10739041

IUPACmethyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(5R)-5-hydroxy-4,4-dimethyl-1,3-dioxan-5-yl]-3-methylpent-2-enoate
SMILESCOC(=O)/C=C(\C)[C@H](C[C@@]1(O)COCOC1(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36O6Si/c1-14(10-16(20)22-7)15(25-26(8,9)17(2,3)4)11-19(21)12-23-13-24-18(19,5)6/h10,15,21H,11-13H2,1-9H3/b14-10+/t15-,19+/m0/s1
InChIKeyLMEQIVIDSOFRTB-WKVQQDHWSA-N
MW388.58 g/mol
LogP3.40
Rot. Bonds6

About methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(5R)-5-hydroxy-4,4-dimethyl-1,3-dioxan-5-yl]-3-methylpent-2-enoate

methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(5R)-5-hydroxy-4,4-dimethyl-1,3-dioxan-5-yl]-3-methylpent-2-enoate (PubChem CID 10739041) has the molecular formula C19H36O6Si and a molecular weight of 388.58 g/mol. Its IUPAC name is methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(5R)-5-hydroxy-4,4-dimethyl-1,3-dioxan-5-yl]-3-methylpent-2-enoate.

Molecular Properties

Compound Namemethyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(5R)-5-hydroxy-4,4-dimethyl-1,3-dioxan-5-yl]-3-methylpent-2-enoate
PubChem CID10739041
Molecular FormulaC19H36O6Si
Molecular Weight388.58 g/mol
Exact Mass388.23
IUPAC Namemethyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(5R)-5-hydroxy-4,4-dimethyl-1,3-dioxan-5-yl]-3-methylpent-2-enoate
SMILESCOC(=O)/C=C(\C)[C@H](C[C@@]1(O)COCOC1(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36O6Si/c1-14(10-16(20)22-7)15(25-26(8,9)17(2,3)4)11-19(21)12-23-13-24-18(19,5)6/h10,15,21H,11-13H2,1-9H3/b14-10+/t15-,19+/m0/s1
InChIKeyLMEQIVIDSOFRTB-WKVQQDHWSA-N
XLogP3.40
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.58
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (E)-6-[(2S,3R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-6-methyloxan-2-yl]oxy-6-methylhept-2-enoate
CID 174031467
methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2R)-3,3-dimethyl-2-(2-trimethylsilylethoxymethoxymethyl)oxiran-2-yl]-3-methylpent-2-enoate
CID 10601089
methyl (2E,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-6-(hydroxymethyl)-3,7-dimethylocta-2,7-dienoate
CID 10666133
ethyl (E,4S)-5-[(2R)-2-(hydroxymethyl)-3,3-dimethyloxiran-2-yl]-4-methoxy-3-(trimethylsilylmethyl)pent-2-enoate
CID 10688839
ethyl (Z)-3-[(2S,4R)-4-hydroxy-4-(hydroxymethyl)-5,5-dimethyloxolan-2-yl]-4-trimethylsilylbut-2-enoate
CID 10758839
ethyl (Z,4S)-5-[(2R)-2-(hydroxymethyl)-3,3-dimethyloxiran-2-yl]-4-methoxy-3-(trimethylsilylmethyl)pent-2-enoate
CID 10807435
ethyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2R)-2-(hydroxymethyl)-3,3-dimethyloxiran-2-yl]-3-(trimethylsilylmethyl)pent-2-enoate
CID 10813211
methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]pent-2-enoate
CID 10981936
ethyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2R)-2-(hydroxymethyl)-3,3-dimethyloxiran-2-yl]-3-(trimethylsilylmethyl)pent-2-enoate
CID 12036076
methyl (E)-4-[(3aS,4S,7R,7aS)-7-hydroxy-2,2-dimethyl-7-[(E,4R,5S)-4-methyl-5-triethylsilyloxyhex-2-enyl]-3a,4,6,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]-3-methylbut-2-enoate
CID 44126631

Frequently Asked Questions

What is the IUPAC name of methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(5R)-5-hydroxy-4,4-dimethyl-1,3-dioxan-5-yl]-3-methylpent-2-enoate?
The IUPAC name of methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(5R)-5-hydroxy-4,4-dimethyl-1,3-dioxan-5-yl]-3-methylpent-2-enoate (CID 10739041) is methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(5R)-5-hydroxy-4,4-dimethyl-1,3-dioxan-5-yl]-3-methylpent-2-enoate.
What is the SMILES notation for methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(5R)-5-hydroxy-4,4-dimethyl-1,3-dioxan-5-yl]-3-methylpent-2-enoate?
The canonical SMILES for methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(5R)-5-hydroxy-4,4-dimethyl-1,3-dioxan-5-yl]-3-methylpent-2-enoate is COC(=O)/C=C(\C)[C@H](C[C@@]1(O)COCOC1(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(5R)-5-hydroxy-4,4-dimethyl-1,3-dioxan-5-yl]-3-methylpent-2-enoate?
The InChIKey is LMEQIVIDSOFRTB-WKVQQDHWSA-N. The full InChI is InChI=1S/C19H36O6Si/c1-14(10-16(20)22-7)15(25-26(8,9)17(2,3)4)11-19(21)12-23-13-24-18(19,5)6/h10,15,21H,11-13H2,1-9H3/b14-10+/t15-,19+/m0/s1.
What are the key properties of methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(5R)-5-hydroxy-4,4-dimethyl-1,3-dioxan-5-yl]-3-methylpent-2-enoate?
methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(5R)-5-hydroxy-4,4-dimethyl-1,3-dioxan-5-yl]-3-methylpent-2-enoate has a molecular weight of 388.58 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(5R)-5-hydroxy-4,4-dimethyl-1,3-dioxan-5-yl]-3-methylpent-2-enoate is sourced from PubChem (CID 10739041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).