methyl (2R,3S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethyloct-7-enoate

C17H34O4Si — CID 11024024

IUPACmethyl (2R,3S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethyloct-7-enoate
SMILESC=CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H](O)[C@@H](C)C(=O)OC
InChIInChI=1S/C17H34O4Si/c1-10-11-14(21-22(8,9)17(4,5)6)12(2)15(18)13(3)16(19)20-7/h10,12-15,18H,1,11H2,2-9H3/t12-,13+,14-,15-/m0/s1
InChIKeyNQRRCVLOKSDNON-XGUBFFRZSA-N
MW330.54 g/mol
LogP3.76
Rot. Bonds8

About methyl (2R,3S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethyloct-7-enoate

methyl (2R,3S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethyloct-7-enoate (PubChem CID 11024024) has the molecular formula C17H34O4Si and a molecular weight of 330.54 g/mol. Its IUPAC name is methyl (2R,3S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethyloct-7-enoate.

Molecular Properties

Compound Namemethyl (2R,3S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethyloct-7-enoate
PubChem CID11024024
Molecular FormulaC17H34O4Si
Molecular Weight330.54 g/mol
Exact Mass330.22
IUPAC Namemethyl (2R,3S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethyloct-7-enoate
SMILESC=CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H](O)[C@@H](C)C(=O)OC
InChIInChI=1S/C17H34O4Si/c1-10-11-14(21-22(8,9)17(4,5)6)12(2)15(18)13(3)16(19)20-7/h10,12-15,18H,1,11H2,2-9H3/t12-,13+,14-,15-/m0/s1
InChIKeyNQRRCVLOKSDNON-XGUBFFRZSA-N
XLogP3.76
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.54
LogP ≤ 53.76
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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Frequently Asked Questions

What is the IUPAC name of methyl (2R,3S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethyloct-7-enoate?
The IUPAC name of methyl (2R,3S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethyloct-7-enoate (CID 11024024) is methyl (2R,3S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethyloct-7-enoate.
What is the SMILES notation for methyl (2R,3S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethyloct-7-enoate?
The canonical SMILES for methyl (2R,3S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethyloct-7-enoate is C=CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H](O)[C@@H](C)C(=O)OC.
What is the InChIKey of methyl (2R,3S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethyloct-7-enoate?
The InChIKey is NQRRCVLOKSDNON-XGUBFFRZSA-N. The full InChI is InChI=1S/C17H34O4Si/c1-10-11-14(21-22(8,9)17(4,5)6)12(2)15(18)13(3)16(19)20-7/h10,12-15,18H,1,11H2,2-9H3/t12-,13+,14-,15-/m0/s1.
What are the key properties of methyl (2R,3S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethyloct-7-enoate?
methyl (2R,3S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethyloct-7-enoate has a molecular weight of 330.54 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethyloct-7-enoate is sourced from PubChem (CID 11024024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).