tert-butyl-[(Z)-[(2S,4S,5S)-2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-5-methoxy-4-methyloxolan-3-ylidene]methoxy]-dimethylsilane

C22H46O4Si2 — CID 14703128

IUPACtert-butyl-[(Z)-[(2S,4S,5S)-2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-5-methoxy-4-methyloxolan-3-ylidene]methoxy]-dimethylsilane
SMILESCO[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C(C)C)/C(=C\O[Si](C)(C)C(C)(C)C)[C@@H]1C
InChIInChI=1S/C22H46O4Si2/c1-16(2)22(7,8)28(12,13)25-15-19-18(17(3)20(23-9)26-19)14-24-27(10,11)21(4,5)6/h14,16-17,19-20H,15H2,1-13H3/b18-14-/t17-,19+,20-/m0/s1
InChIKeyLOYZVKGQMXJNPV-AOEGOASBSA-N
MW430.78 g/mol
LogP6.56
Rot. Bonds8

About tert-butyl-[(Z)-[(2S,4S,5S)-2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-5-methoxy-4-methyloxolan-3-ylidene]methoxy]-dimethylsilane

tert-butyl-[(Z)-[(2S,4S,5S)-2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-5-methoxy-4-methyloxolan-3-ylidene]methoxy]-dimethylsilane (PubChem CID 14703128) has the molecular formula C22H46O4Si2 and a molecular weight of 430.78 g/mol. Its IUPAC name is tert-butyl-[(Z)-[(2S,4S,5S)-2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-5-methoxy-4-methyloxolan-3-ylidene]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z)-[(2S,4S,5S)-2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-5-methoxy-4-methyloxolan-3-ylidene]methoxy]-dimethylsilane
PubChem CID14703128
Molecular FormulaC22H46O4Si2
Molecular Weight430.78 g/mol
Exact Mass430.29
IUPAC Nametert-butyl-[(Z)-[(2S,4S,5S)-2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-5-methoxy-4-methyloxolan-3-ylidene]methoxy]-dimethylsilane
SMILESCO[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C(C)C)/C(=C\O[Si](C)(C)C(C)(C)C)[C@@H]1C
InChIInChI=1S/C22H46O4Si2/c1-16(2)22(7,8)28(12,13)25-15-19-18(17(3)20(23-9)26-19)14-24-27(10,11)21(4,5)6/h14,16-17,19-20H,15H2,1-13H3/b18-14-/t17-,19+,20-/m0/s1
InChIKeyLOYZVKGQMXJNPV-AOEGOASBSA-N
XLogP6.56
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.78
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

rel-tert-butyl{[(2R,5S)-5-methoxy-3-methylenetetrahydrofuran-2-yl]methoxy}dimethylsilane
CID 639484
(6aR,9aS)-8-methoxy-9-methylidene-2,2,4,4-tetra(propan-2-yl)-6a,9a-dihydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine
CID 69925358
tert-butyl-[[(2S,5S)-5-methoxy-3-methylideneoxolan-2-yl]methoxy]-dimethylsilane
CID 10777632
tert-butyl-[(E)-[(2S,4S,5S)-2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-5-methoxy-4-methyloxolan-3-ylidene]methoxy]-dimethylsilane
CID 14703129
tert-butyl-[(E)-[(2S,4R,5R)-2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-5-methoxy-4-methyloxolan-3-ylidene]methoxy]-dimethylsilane
CID 14703130
tert-butyl-[(Z)-[(2S,4R,5R)-2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-5-methoxy-4-methyloxolan-3-ylidene]methoxy]-dimethylsilane
CID 14703131
tert-butyl-[[(2R,5S)-5-methoxy-3-methylideneoxolan-2-yl]methoxy]-dimethylsilane
CID 22298162

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(Z)-[(2S,4S,5S)-2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-5-methoxy-4-methyloxolan-3-ylidene]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(Z)-[(2S,4S,5S)-2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-5-methoxy-4-methyloxolan-3-ylidene]methoxy]-dimethylsilane (CID 14703128) is tert-butyl-[(Z)-[(2S,4S,5S)-2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-5-methoxy-4-methyloxolan-3-ylidene]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(Z)-[(2S,4S,5S)-2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-5-methoxy-4-methyloxolan-3-ylidene]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(Z)-[(2S,4S,5S)-2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-5-methoxy-4-methyloxolan-3-ylidene]methoxy]-dimethylsilane is CO[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C(C)C)/C(=C\O[Si](C)(C)C(C)(C)C)[C@@H]1C.
What is the InChIKey of tert-butyl-[(Z)-[(2S,4S,5S)-2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-5-methoxy-4-methyloxolan-3-ylidene]methoxy]-dimethylsilane?
The InChIKey is LOYZVKGQMXJNPV-AOEGOASBSA-N. The full InChI is InChI=1S/C22H46O4Si2/c1-16(2)22(7,8)28(12,13)25-15-19-18(17(3)20(23-9)26-19)14-24-27(10,11)21(4,5)6/h14,16-17,19-20H,15H2,1-13H3/b18-14-/t17-,19+,20-/m0/s1.
What are the key properties of tert-butyl-[(Z)-[(2S,4S,5S)-2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-5-methoxy-4-methyloxolan-3-ylidene]methoxy]-dimethylsilane?
tert-butyl-[(Z)-[(2S,4S,5S)-2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-5-methoxy-4-methyloxolan-3-ylidene]methoxy]-dimethylsilane has a molecular weight of 430.78 g/mol, XLogP of 6.56, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z)-[(2S,4S,5S)-2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-5-methoxy-4-methyloxolan-3-ylidene]methoxy]-dimethylsilane is sourced from PubChem (CID 14703128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).