tert-butyl-[(Z,2S,3R,4S)-3-(methoxymethoxy)-2,4-dimethyl-6-trimethylsilylhept-5-enoxy]-dimethylsilane

C20H44O3Si2 — CID 154718521

IUPACtert-butyl-[(Z,2S,3R,4S)-3-(methoxymethoxy)-2,4-dimethyl-6-trimethylsilylhept-5-enoxy]-dimethylsilane
SMILESCOCO[C@H]([C@@H](C)/C=C(/C)[Si](C)(C)C)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H44O3Si2/c1-16(13-18(3)24(8,9)10)19(22-15-21-7)17(2)14-23-25(11,12)20(4,5)6/h13,16-17,19H,14-15H2,1-12H3/b18-13-/t16-,17-,19+/m0/s1
InChIKeyWUNOONZARVFZSQ-BZBPSAPESA-N
MW388.74 g/mol
LogP6.09
Rot. Bonds10

About tert-butyl-[(Z,2S,3R,4S)-3-(methoxymethoxy)-2,4-dimethyl-6-trimethylsilylhept-5-enoxy]-dimethylsilane

tert-butyl-[(Z,2S,3R,4S)-3-(methoxymethoxy)-2,4-dimethyl-6-trimethylsilylhept-5-enoxy]-dimethylsilane (PubChem CID 154718521) has the molecular formula C20H44O3Si2 and a molecular weight of 388.74 g/mol. Its IUPAC name is tert-butyl-[(Z,2S,3R,4S)-3-(methoxymethoxy)-2,4-dimethyl-6-trimethylsilylhept-5-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z,2S,3R,4S)-3-(methoxymethoxy)-2,4-dimethyl-6-trimethylsilylhept-5-enoxy]-dimethylsilane
PubChem CID154718521
Molecular FormulaC20H44O3Si2
Molecular Weight388.74 g/mol
Exact Mass388.28
IUPAC Nametert-butyl-[(Z,2S,3R,4S)-3-(methoxymethoxy)-2,4-dimethyl-6-trimethylsilylhept-5-enoxy]-dimethylsilane
SMILESCOCO[C@H]([C@@H](C)/C=C(/C)[Si](C)(C)C)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H44O3Si2/c1-16(13-18(3)24(8,9)10)19(22-15-21-7)17(2)14-23-25(11,12)20(4,5)6/h13,16-17,19H,14-15H2,1-12H3/b18-13-/t16-,17-,19+/m0/s1
InChIKeyWUNOONZARVFZSQ-BZBPSAPESA-N
XLogP6.09
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.74
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(Z,2S,3R,4S)-3-(methoxymethoxy)-2,4-dimethyl-6-trimethylsilylhept-5-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(Z,2S,3R,4S)-3-(methoxymethoxy)-2,4-dimethyl-6-trimethylsilylhept-5-enoxy]-dimethylsilane (CID 154718521) is tert-butyl-[(Z,2S,3R,4S)-3-(methoxymethoxy)-2,4-dimethyl-6-trimethylsilylhept-5-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(Z,2S,3R,4S)-3-(methoxymethoxy)-2,4-dimethyl-6-trimethylsilylhept-5-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(Z,2S,3R,4S)-3-(methoxymethoxy)-2,4-dimethyl-6-trimethylsilylhept-5-enoxy]-dimethylsilane is COCO[C@H]([C@@H](C)/C=C(/C)[Si](C)(C)C)[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(Z,2S,3R,4S)-3-(methoxymethoxy)-2,4-dimethyl-6-trimethylsilylhept-5-enoxy]-dimethylsilane?
The InChIKey is WUNOONZARVFZSQ-BZBPSAPESA-N. The full InChI is InChI=1S/C20H44O3Si2/c1-16(13-18(3)24(8,9)10)19(22-15-21-7)17(2)14-23-25(11,12)20(4,5)6/h13,16-17,19H,14-15H2,1-12H3/b18-13-/t16-,17-,19+/m0/s1.
What are the key properties of tert-butyl-[(Z,2S,3R,4S)-3-(methoxymethoxy)-2,4-dimethyl-6-trimethylsilylhept-5-enoxy]-dimethylsilane?
tert-butyl-[(Z,2S,3R,4S)-3-(methoxymethoxy)-2,4-dimethyl-6-trimethylsilylhept-5-enoxy]-dimethylsilane has a molecular weight of 388.74 g/mol, XLogP of 6.09, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z,2S,3R,4S)-3-(methoxymethoxy)-2,4-dimethyl-6-trimethylsilylhept-5-enoxy]-dimethylsilane is sourced from PubChem (CID 154718521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).