tert-butyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyhept-5-enoate

C17H34O4Si — CID 11724222

IUPACtert-butyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyhept-5-enoate
SMILESCC(C)(C)OC(=O)CC(C/C=C/CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O4Si/c1-16(2,3)20-15(19)13-14(11-9-10-12-18)21-22(7,8)17(4,5)6/h9-10,14,18H,11-13H2,1-8H3/b10-9+
InChIKeyYIVJRVJUJONADP-MDZDMXLPSA-N
MW330.54 g/mol
LogP4.05
Rot. Bonds7

About tert-butyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyhept-5-enoate

tert-butyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyhept-5-enoate (PubChem CID 11724222) has the molecular formula C17H34O4Si and a molecular weight of 330.54 g/mol. Its IUPAC name is tert-butyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyhept-5-enoate.

Molecular Properties

Compound Nametert-butyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyhept-5-enoate
PubChem CID11724222
Molecular FormulaC17H34O4Si
Molecular Weight330.54 g/mol
Exact Mass330.22
IUPAC Nametert-butyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyhept-5-enoate
SMILESCC(C)(C)OC(=O)CC(C/C=C/CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O4Si/c1-16(2,3)20-15(19)13-14(11-9-10-12-18)21-22(7,8)17(4,5)6/h9-10,14,18H,11-13H2,1-8H3/b10-9+
InChIKeyYIVJRVJUJONADP-MDZDMXLPSA-N
XLogP4.05
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.54
LogP ≤ 54.05
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,4S,5E,7S,8S)-7,8-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxy-2-methyl-2,3,4,7,8,9-hexahydrooxecin-10-one
CID 11091533
ethyl (4E,6E,11R)-11-[tert-butyl(dimethyl)silyl]oxy-3-hydroxydodeca-4,6-dienoate
CID 57327644
ethyl (3S,4E,6E,11R)-11-[tert-butyl(dimethyl)silyl]oxy-3-hydroxydodeca-4,6-dienoate
CID 57327646
(3S,4E,6E,11R)-11-[tert-butyl(dimethyl)silyl]oxy-3-hydroxydodeca-4,6-dienoic acid
CID 134837095
ethyl (Z,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,6-dimethylhept-5-enoate
CID 134952080
methyl (5Z,9R,11S,13E,15S)-9-[tert-butyl(dimethyl)silyl]oxy-11,15-dihydroxyicosa-5,13-dienoate
CID 135045945
methyl (6E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-7,11-dimethyldodeca-6,10-dienoate
CID 14805432
2-trimethylsilylethyl (E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyhept-4-enoate
CID 45276075
[(E)-8-[tert-butyl(dimethyl)silyl]oxy-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-hydroxyoct-5-enyl] acetate
CID 58918261
[8-[Tert-butyl(dimethyl)silyl]oxy-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-hydroxyoct-5-enyl] acetate
CID 72462463
7-Hydroxy-9-oxo-9-(2-trimethylsilylethoxy)non-4-enoic acid
CID 72683382
methyl (5E,7E,10E,13E,15E,19E)-17-[tert-butyl(dimethyl)silyl]oxy-4-hydroxydocosa-5,7,10,13,15,19-hexaenoate
CID 87513005

Frequently Asked Questions

What is the IUPAC name of tert-butyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyhept-5-enoate?
The IUPAC name of tert-butyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyhept-5-enoate (CID 11724222) is tert-butyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyhept-5-enoate.
What is the SMILES notation for tert-butyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyhept-5-enoate?
The canonical SMILES for tert-butyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyhept-5-enoate is CC(C)(C)OC(=O)CC(C/C=C/CO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyhept-5-enoate?
The InChIKey is YIVJRVJUJONADP-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H34O4Si/c1-16(2,3)20-15(19)13-14(11-9-10-12-18)21-22(7,8)17(4,5)6/h9-10,14,18H,11-13H2,1-8H3/b10-9+.
What are the key properties of tert-butyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyhept-5-enoate?
tert-butyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyhept-5-enoate has a molecular weight of 330.54 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyhept-5-enoate is sourced from PubChem (CID 11724222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).