tert-butyl-[(1R,2S,3R)-3-ethenyl-2-methoxy-1-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]hex-5-ynoxy]-dimethylsilane

C21H38O4Si — CID 11749390

IUPACtert-butyl-[(1R,2S,3R)-3-ethenyl-2-methoxy-1-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]hex-5-ynoxy]-dimethylsilane
SMILESC#CC[C@H](C=C)[C@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(C)(C)O[C@@H]1C
InChIInChI=1S/C21H38O4Si/c1-12-14-16(13-2)18(22-9)19(25-26(10,11)20(4,5)6)17-15(3)23-21(7,8)24-17/h1,13,15-19H,2,14H2,3-11H3/t15-,16+,17+,18+,19+/m1/s1
InChIKeyTYSUMYFWDWTDIE-BCYZHJNNSA-N
MW382.62 g/mol
LogP4.76
Rot. Bonds8

About tert-butyl-[(1R,2S,3R)-3-ethenyl-2-methoxy-1-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]hex-5-ynoxy]-dimethylsilane

tert-butyl-[(1R,2S,3R)-3-ethenyl-2-methoxy-1-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]hex-5-ynoxy]-dimethylsilane (PubChem CID 11749390) has the molecular formula C21H38O4Si and a molecular weight of 382.62 g/mol. Its IUPAC name is tert-butyl-[(1R,2S,3R)-3-ethenyl-2-methoxy-1-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]hex-5-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R,2S,3R)-3-ethenyl-2-methoxy-1-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]hex-5-ynoxy]-dimethylsilane
PubChem CID11749390
Molecular FormulaC21H38O4Si
Molecular Weight382.62 g/mol
Exact Mass382.25
IUPAC Nametert-butyl-[(1R,2S,3R)-3-ethenyl-2-methoxy-1-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]hex-5-ynoxy]-dimethylsilane
SMILESC#CC[C@H](C=C)[C@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(C)(C)O[C@@H]1C
InChIInChI=1S/C21H38O4Si/c1-12-14-16(13-2)18(22-9)19(25-26(10,11)20(4,5)6)17-15(3)23-21(7,8)24-17/h1,13,15-19H,2,14H2,3-11H3/t15-,16+,17+,18+,19+/m1/s1
InChIKeyTYSUMYFWDWTDIE-BCYZHJNNSA-N
XLogP4.76
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.62
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R,2S,3R)-3-ethenyl-2-methoxy-1-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]hex-5-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1R,2S,3R)-3-ethenyl-2-methoxy-1-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]hex-5-ynoxy]-dimethylsilane (CID 11749390) is tert-butyl-[(1R,2S,3R)-3-ethenyl-2-methoxy-1-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]hex-5-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R,2S,3R)-3-ethenyl-2-methoxy-1-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]hex-5-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R,2S,3R)-3-ethenyl-2-methoxy-1-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]hex-5-ynoxy]-dimethylsilane is C#CC[C@H](C=C)[C@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(C)(C)O[C@@H]1C.
What is the InChIKey of tert-butyl-[(1R,2S,3R)-3-ethenyl-2-methoxy-1-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]hex-5-ynoxy]-dimethylsilane?
The InChIKey is TYSUMYFWDWTDIE-BCYZHJNNSA-N. The full InChI is InChI=1S/C21H38O4Si/c1-12-14-16(13-2)18(22-9)19(25-26(10,11)20(4,5)6)17-15(3)23-21(7,8)24-17/h1,13,15-19H,2,14H2,3-11H3/t15-,16+,17+,18+,19+/m1/s1.
What are the key properties of tert-butyl-[(1R,2S,3R)-3-ethenyl-2-methoxy-1-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]hex-5-ynoxy]-dimethylsilane?
tert-butyl-[(1R,2S,3R)-3-ethenyl-2-methoxy-1-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]hex-5-ynoxy]-dimethylsilane has a molecular weight of 382.62 g/mol, XLogP of 4.76, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R,2S,3R)-3-ethenyl-2-methoxy-1-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]hex-5-ynoxy]-dimethylsilane is sourced from PubChem (CID 11749390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).