methyl (Z,6S)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloct-2-enoate

C17H34O3Si — CID 135035689

IUPACmethyl (Z,6S)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloct-2-enoate
SMILESCOC(=O)/C(C)=C\CC[C@H](C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O3Si/c1-14(10-9-11-15(2)16(18)19-6)12-13-20-21(7,8)17(3,4)5/h11,14H,9-10,12-13H2,1-8H3/b15-11-/t14-/m0/s1
InChIKeyUCVOLBHOUGJGLO-XFNCEPBJSA-N
MW314.54 g/mol
LogP4.93
Rot. Bonds8

About methyl (Z,6S)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloct-2-enoate

methyl (Z,6S)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloct-2-enoate (PubChem CID 135035689) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is methyl (Z,6S)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloct-2-enoate.

Molecular Properties

Compound Namemethyl (Z,6S)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloct-2-enoate
PubChem CID135035689
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Namemethyl (Z,6S)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloct-2-enoate
SMILESCOC(=O)/C(C)=C\CC[C@H](C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O3Si/c1-14(10-9-11-15(2)16(18)19-6)12-13-20-21(7,8)17(3,4)5/h11,14H,9-10,12-13H2,1-8H3/b15-11-/t14-/m0/s1
InChIKeyUCVOLBHOUGJGLO-XFNCEPBJSA-N
XLogP4.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.54
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (Z,6S)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloct-2-enoate?
The IUPAC name of methyl (Z,6S)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloct-2-enoate (CID 135035689) is methyl (Z,6S)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloct-2-enoate.
What is the SMILES notation for methyl (Z,6S)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloct-2-enoate?
The canonical SMILES for methyl (Z,6S)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloct-2-enoate is COC(=O)/C(C)=C\CC[C@H](C)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (Z,6S)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloct-2-enoate?
The InChIKey is UCVOLBHOUGJGLO-XFNCEPBJSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-14(10-9-11-15(2)16(18)19-6)12-13-20-21(7,8)17(3,4)5/h11,14H,9-10,12-13H2,1-8H3/b15-11-/t14-/m0/s1.
What are the key properties of methyl (Z,6S)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloct-2-enoate?
methyl (Z,6S)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloct-2-enoate has a molecular weight of 314.54 g/mol, XLogP of 4.93, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z,6S)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloct-2-enoate is sourced from PubChem (CID 135035689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).