[(2S,5R)-5-but-3-enyl-3,5-dimethyl-2H-furan-2-yl]methoxy-tert-butyl-dimethylsilane

C17H32O2Si — CID 134931804

IUPAC[(2S,5R)-5-but-3-enyl-3,5-dimethyl-2H-furan-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESC=CCC[C@]1(C)C=C(C)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C17H32O2Si/c1-9-10-11-17(6)12-14(2)15(19-17)13-18-20(7,8)16(3,4)5/h9,12,15H,1,10-11,13H2,2-8H3/t15-,17-/m1/s1
InChIKeyMZMLKWUMUKNNHD-NVXWUHKLSA-N
MW296.53 g/mol
LogP5.08
Rot. Bonds6

About [(2S,5R)-5-but-3-enyl-3,5-dimethyl-2H-furan-2-yl]methoxy-tert-butyl-dimethylsilane

[(2S,5R)-5-but-3-enyl-3,5-dimethyl-2H-furan-2-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 134931804) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is [(2S,5R)-5-but-3-enyl-3,5-dimethyl-2H-furan-2-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2S,5R)-5-but-3-enyl-3,5-dimethyl-2H-furan-2-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID134931804
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Name[(2S,5R)-5-but-3-enyl-3,5-dimethyl-2H-furan-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESC=CCC[C@]1(C)C=C(C)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C17H32O2Si/c1-9-10-11-17(6)12-14(2)15(19-17)13-18-20(7,8)16(3,4)5/h9,12,15H,1,10-11,13H2,2-8H3/t15-,17-/m1/s1
InChIKeyMZMLKWUMUKNNHD-NVXWUHKLSA-N
XLogP5.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.53
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[[(2S,5R)-3,5-dimethyl-5-phenyl-2H-furan-2-yl]methoxy]-dimethylsilane
CID 134944366
tert-butyl-[[(4R,5R)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 53360059
tert-butyl-[[(1R,3S)-3-ethenyl-2,2-difluorocyclopropyl]methoxy]-dimethylsilane
CID 166560955
tert-butyl-[[(1R,2R,4S,5R)-4-ethenyl-5-[(S)-(4-methylphenyl)sulfinyl]-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methoxy]-dimethylsilane
CID 11703906
(2S,3R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-5-prop-2-enyloxolan-3-ol
CID 57385207
tert-butyl-[[(4R)-2,2-dimethyl-4H-1,3-benzodioxin-4-yl]methoxy]-dimethylsilane
CID 140749012
tert-butyl-dimethyl-[[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxy]silane
CID 14494226
tert-butyl-dimethyl-[[(1R,5R)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]methoxy]silane
CID 132558837
2-but-3-enyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexane-1,3-dione
CID 101240480
(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 14283028
(1-but-3-enylcyclopent-3-en-1-yl)oxy-tert-butyl-dimethylsilane
CID 11470770
(1R,3S,4aR,7aS,8R,8aR)-1,3-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,4a,5,6,7,7a,8,8a-octahydrocyclopenta[f][2]benzofuran-8-carbaldehyde
CID 53465584

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-but-3-enyl-3,5-dimethyl-2H-furan-2-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2S,5R)-5-but-3-enyl-3,5-dimethyl-2H-furan-2-yl]methoxy-tert-butyl-dimethylsilane (CID 134931804) is [(2S,5R)-5-but-3-enyl-3,5-dimethyl-2H-furan-2-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2S,5R)-5-but-3-enyl-3,5-dimethyl-2H-furan-2-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2S,5R)-5-but-3-enyl-3,5-dimethyl-2H-furan-2-yl]methoxy-tert-butyl-dimethylsilane is C=CCC[C@]1(C)C=C(C)[C@@H](CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of [(2S,5R)-5-but-3-enyl-3,5-dimethyl-2H-furan-2-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is MZMLKWUMUKNNHD-NVXWUHKLSA-N. The full InChI is InChI=1S/C17H32O2Si/c1-9-10-11-17(6)12-14(2)15(19-17)13-18-20(7,8)16(3,4)5/h9,12,15H,1,10-11,13H2,2-8H3/t15-,17-/m1/s1.
What are the key properties of [(2S,5R)-5-but-3-enyl-3,5-dimethyl-2H-furan-2-yl]methoxy-tert-butyl-dimethylsilane?
[(2S,5R)-5-but-3-enyl-3,5-dimethyl-2H-furan-2-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 296.53 g/mol, XLogP of 5.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-but-3-enyl-3,5-dimethyl-2H-furan-2-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 134931804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).