trimethyl-[2-[[(2S)-2-[(2R,5S,6R)-5-methyl-6-[(E)-1-trimethylsilylbut-1-en-2-yl]oxan-2-yl]propoxy]methoxy]ethyl]silane

C22H46O3Si2 — CID 10431966

IUPACtrimethyl-[2-[[(2S)-2-[(2R,5S,6R)-5-methyl-6-[(E)-1-trimethylsilylbut-1-en-2-yl]oxan-2-yl]propoxy]methoxy]ethyl]silane
SMILESCC/C(=C\[Si](C)(C)C)[C@@H]1O[C@@H]([C@@H](C)COCOCC[Si](C)(C)C)CC[C@@H]1C
InChIInChI=1S/C22H46O3Si2/c1-10-20(16-27(7,8)9)22-18(2)11-12-21(25-22)19(3)15-24-17-23-13-14-26(4,5)6/h16,18-19,21-22H,10-15,17H2,1-9H3/b20-16+/t18-,19-,21+,22+/m0/s1
InChIKeyTZQIZOTZRQGCJL-BCFFQZFUSA-N
MW414.78 g/mol
LogP6.35
Rot. Bonds11

About trimethyl-[2-[[(2S)-2-[(2R,5S,6R)-5-methyl-6-[(E)-1-trimethylsilylbut-1-en-2-yl]oxan-2-yl]propoxy]methoxy]ethyl]silane

trimethyl-[2-[[(2S)-2-[(2R,5S,6R)-5-methyl-6-[(E)-1-trimethylsilylbut-1-en-2-yl]oxan-2-yl]propoxy]methoxy]ethyl]silane (PubChem CID 10431966) has the molecular formula C22H46O3Si2 and a molecular weight of 414.78 g/mol. Its IUPAC name is trimethyl-[2-[[(2S)-2-[(2R,5S,6R)-5-methyl-6-[(E)-1-trimethylsilylbut-1-en-2-yl]oxan-2-yl]propoxy]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[(2S)-2-[(2R,5S,6R)-5-methyl-6-[(E)-1-trimethylsilylbut-1-en-2-yl]oxan-2-yl]propoxy]methoxy]ethyl]silane
PubChem CID10431966
Molecular FormulaC22H46O3Si2
Molecular Weight414.78 g/mol
Exact Mass414.30
IUPAC Nametrimethyl-[2-[[(2S)-2-[(2R,5S,6R)-5-methyl-6-[(E)-1-trimethylsilylbut-1-en-2-yl]oxan-2-yl]propoxy]methoxy]ethyl]silane
SMILESCC/C(=C\[Si](C)(C)C)[C@@H]1O[C@@H]([C@@H](C)COCOCC[Si](C)(C)C)CC[C@@H]1C
InChIInChI=1S/C22H46O3Si2/c1-10-20(16-27(7,8)9)22-18(2)11-12-21(25-22)19(3)15-24-17-23-13-14-26(4,5)6/h16,18-19,21-22H,10-15,17H2,1-9H3/b20-16+/t18-,19-,21+,22+/m0/s1
InChIKeyTZQIZOTZRQGCJL-BCFFQZFUSA-N
XLogP6.35
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.78
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 trimethyl-[2-[[(2S)-2-[(2R,5S,6R)-5-methyl-6-[(E)-1-trimethylsilylbut-1-en-2-yl]oxan-2-yl]propoxy]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[(2S)-2-[(2R,5S,6R)-5-methyl-6-[(E)-1-trimethylsilylbut-1-en-2-yl]oxan-2-yl]propoxy]methoxy]ethyl]silane (CID 10431966) is trimethyl-[2-[[(2S)-2-[(2R,5S,6R)-5-methyl-6-[(E)-1-trimethylsilylbut-1-en-2-yl]oxan-2-yl]propoxy]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[(2S)-2-[(2R,5S,6R)-5-methyl-6-[(E)-1-trimethylsilylbut-1-en-2-yl]oxan-2-yl]propoxy]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[(2S)-2-[(2R,5S,6R)-5-methyl-6-[(E)-1-trimethylsilylbut-1-en-2-yl]oxan-2-yl]propoxy]methoxy]ethyl]silane is CC/C(=C\[Si](C)(C)C)[C@@H]1O[C@@H]([C@@H](C)COCOCC[Si](C)(C)C)CC[C@@H]1C.
What is the InChIKey of trimethyl-[2-[[(2S)-2-[(2R,5S,6R)-5-methyl-6-[(E)-1-trimethylsilylbut-1-en-2-yl]oxan-2-yl]propoxy]methoxy]ethyl]silane?
The InChIKey is TZQIZOTZRQGCJL-BCFFQZFUSA-N. The full InChI is InChI=1S/C22H46O3Si2/c1-10-20(16-27(7,8)9)22-18(2)11-12-21(25-22)19(3)15-24-17-23-13-14-26(4,5)6/h16,18-19,21-22H,10-15,17H2,1-9H3/b20-16+/t18-,19-,21+,22+/m0/s1.
What are the key properties of trimethyl-[2-[[(2S)-2-[(2R,5S,6R)-5-methyl-6-[(E)-1-trimethylsilylbut-1-en-2-yl]oxan-2-yl]propoxy]methoxy]ethyl]silane?
trimethyl-[2-[[(2S)-2-[(2R,5S,6R)-5-methyl-6-[(E)-1-trimethylsilylbut-1-en-2-yl]oxan-2-yl]propoxy]methoxy]ethyl]silane has a molecular weight of 414.78 g/mol, XLogP of 6.35, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[(2S)-2-[(2R,5S,6R)-5-methyl-6-[(E)-1-trimethylsilylbut-1-en-2-yl]oxan-2-yl]propoxy]methoxy]ethyl]silane is sourced from PubChem (CID 10431966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).