tert-butyl-[(3R,4S,5S)-4-methoxy-5-methyl-2-[(2S)-oxan-2-yl]non-1-en-3-yl]oxy-dimethylsilane

C22H44O3Si — CID 67672314

IUPACtert-butyl-[(3R,4S,5S)-4-methoxy-5-methyl-2-[(2S)-oxan-2-yl]non-1-en-3-yl]oxy-dimethylsilane
SMILESC=C([C@@H]1CCCCO1)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OC)[C@@H](C)CCCC
InChIInChI=1S/C22H44O3Si/c1-10-11-14-17(2)20(23-7)21(25-26(8,9)22(4,5)6)18(3)19-15-12-13-16-24-19/h17,19-21H,3,10-16H2,1-2,4-9H3/t17-,19-,20-,21+/m0/s1
InChIKeyVXDOPWDZGGUESY-ZIBCJSCZSA-N
MW384.68 g/mol
LogP6.34
Rot. Bonds10

About tert-butyl-[(3R,4S,5S)-4-methoxy-5-methyl-2-[(2S)-oxan-2-yl]non-1-en-3-yl]oxy-dimethylsilane

tert-butyl-[(3R,4S,5S)-4-methoxy-5-methyl-2-[(2S)-oxan-2-yl]non-1-en-3-yl]oxy-dimethylsilane (PubChem CID 67672314) has the molecular formula C22H44O3Si and a molecular weight of 384.68 g/mol. Its IUPAC name is tert-butyl-[(3R,4S,5S)-4-methoxy-5-methyl-2-[(2S)-oxan-2-yl]non-1-en-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3R,4S,5S)-4-methoxy-5-methyl-2-[(2S)-oxan-2-yl]non-1-en-3-yl]oxy-dimethylsilane
PubChem CID67672314
Molecular FormulaC22H44O3Si
Molecular Weight384.68 g/mol
Exact Mass384.31
IUPAC Nametert-butyl-[(3R,4S,5S)-4-methoxy-5-methyl-2-[(2S)-oxan-2-yl]non-1-en-3-yl]oxy-dimethylsilane
SMILESC=C([C@@H]1CCCCO1)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OC)[C@@H](C)CCCC
InChIInChI=1S/C22H44O3Si/c1-10-11-14-17(2)20(23-7)21(25-26(8,9)22(4,5)6)18(3)19-15-12-13-16-24-19/h17,19-21H,3,10-16H2,1-2,4-9H3/t17-,19-,20-,21+/m0/s1
InChIKeyVXDOPWDZGGUESY-ZIBCJSCZSA-N
XLogP6.34
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.68
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 tert-butyl-[(3R,4S,5S)-4-methoxy-5-methyl-2-[(2S)-oxan-2-yl]non-1-en-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3R,4S,5S)-4-methoxy-5-methyl-2-[(2S)-oxan-2-yl]non-1-en-3-yl]oxy-dimethylsilane (CID 67672314) is tert-butyl-[(3R,4S,5S)-4-methoxy-5-methyl-2-[(2S)-oxan-2-yl]non-1-en-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3R,4S,5S)-4-methoxy-5-methyl-2-[(2S)-oxan-2-yl]non-1-en-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3R,4S,5S)-4-methoxy-5-methyl-2-[(2S)-oxan-2-yl]non-1-en-3-yl]oxy-dimethylsilane is C=C([C@@H]1CCCCO1)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OC)[C@@H](C)CCCC.
What is the InChIKey of tert-butyl-[(3R,4S,5S)-4-methoxy-5-methyl-2-[(2S)-oxan-2-yl]non-1-en-3-yl]oxy-dimethylsilane?
The InChIKey is VXDOPWDZGGUESY-ZIBCJSCZSA-N. The full InChI is InChI=1S/C22H44O3Si/c1-10-11-14-17(2)20(23-7)21(25-26(8,9)22(4,5)6)18(3)19-15-12-13-16-24-19/h17,19-21H,3,10-16H2,1-2,4-9H3/t17-,19-,20-,21+/m0/s1.
What are the key properties of tert-butyl-[(3R,4S,5S)-4-methoxy-5-methyl-2-[(2S)-oxan-2-yl]non-1-en-3-yl]oxy-dimethylsilane?
tert-butyl-[(3R,4S,5S)-4-methoxy-5-methyl-2-[(2S)-oxan-2-yl]non-1-en-3-yl]oxy-dimethylsilane has a molecular weight of 384.68 g/mol, XLogP of 6.34, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3R,4S,5S)-4-methoxy-5-methyl-2-[(2S)-oxan-2-yl]non-1-en-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 67672314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).