tert-butyl-dimethyl-[(1R)-1-[(2S)-4-methyl-2,5-dihydrofuran-2-yl]hex-5-enoxy]silane

C17H32O2Si — CID 10732731

IUPACtert-butyl-dimethyl-[(1R)-1-[(2S)-4-methyl-2,5-dihydrofuran-2-yl]hex-5-enoxy]silane
SMILESC=CCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C=C(C)CO1
InChIInChI=1S/C17H32O2Si/c1-8-9-10-11-15(16-12-14(2)13-18-16)19-20(6,7)17(3,4)5/h8,12,15-16H,1,9-11,13H2,2-7H3/t15-,16+/m1/s1
InChIKeyMFPPWRXKFNACPG-CVEARBPZSA-N
MW296.53 g/mol
LogP5.08
Rot. Bonds7

About tert-butyl-dimethyl-[(1R)-1-[(2S)-4-methyl-2,5-dihydrofuran-2-yl]hex-5-enoxy]silane

tert-butyl-dimethyl-[(1R)-1-[(2S)-4-methyl-2,5-dihydrofuran-2-yl]hex-5-enoxy]silane (PubChem CID 10732731) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1R)-1-[(2S)-4-methyl-2,5-dihydrofuran-2-yl]hex-5-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1R)-1-[(2S)-4-methyl-2,5-dihydrofuran-2-yl]hex-5-enoxy]silane
PubChem CID10732731
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Nametert-butyl-dimethyl-[(1R)-1-[(2S)-4-methyl-2,5-dihydrofuran-2-yl]hex-5-enoxy]silane
SMILESC=CCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C=C(C)CO1
InChIInChI=1S/C17H32O2Si/c1-8-9-10-11-15(16-12-14(2)13-18-16)19-20(6,7)17(3,4)5/h8,12,15-16H,1,9-11,13H2,2-7H3/t15-,16+/m1/s1
InChIKeyMFPPWRXKFNACPG-CVEARBPZSA-N
XLogP5.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-dimethyl-[(2R,3S,6R)-4-methylidene-2,6-bis[(E)-prop-1-enyl]oxan-3-yl]oxysilane
CID 101185879
tert-butyl-[(3S,4S,5R,6Z)-8-(2,2-difluorohept-6-enoxy)-3-methoxy-5,7-dimethylocta-1,6-dien-4-yl]oxy-dimethylsilane
CID 89395602
tert-butyl-[[(2S,5S)-5-tert-butyl-3-methyl-2,5-dihydrofuran-2-yl]methoxy]-dimethylsilane
CID 11161923
tert-butyl-[(2R)-2-[(1S,4R)-4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-yl]oxycyclopent-2-en-1-yl]oxy-4-methylpent-4-enoxy]-dimethylsilane
CID 11800231
tert-butyl-[[(1R,2S,5Z,8R)-9-(1-ethoxyethenyl)-6-methyl-11-oxabicyclo[6.2.1]undeca-5,9-dien-2-yl]oxy]-dimethylsilane
CID 16007265
tert-butyl-[[(2S,5S)-5-hexyl-3-methyl-2,5-dihydrofuran-2-yl]methoxy]-dimethylsilane
CID 21630664
tert-butyl-[[(1R,2S,5E,8R)-9-(1-ethoxyethenyl)-6-methyl-11-oxabicyclo[6.2.1]undeca-5,9-dien-2-yl]oxy]-dimethylsilane
CID 50941199
[(1S,2R,5R)-2-but-3-enoxy-5-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 101193984
tert-butyl-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(6R)-3,6-dihydro-2H-pyran-6-yl]but-3-enoxy]-dimethylsilane
CID 101193985
tert-butyl-[(2R)-2-[(1S,4R)-4-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-yl]oxycyclopent-2-en-1-yl]oxy-4-methylpent-4-enoxy]-dimethylsilane
CID 134887489
[(2S,5R)-5-but-3-enyl-3,5-dimethyl-2H-furan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 134931804
tert-butyl-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5Z)-6-methoxy-2,7-dimethylocta-1,5,7-trien-4-yl]oxyhept-6-enoxy]-dimethylsilane
CID 134939172

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(1R)-1-[(2S)-4-methyl-2,5-dihydrofuran-2-yl]hex-5-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(1R)-1-[(2S)-4-methyl-2,5-dihydrofuran-2-yl]hex-5-enoxy]silane (CID 10732731) is tert-butyl-dimethyl-[(1R)-1-[(2S)-4-methyl-2,5-dihydrofuran-2-yl]hex-5-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(1R)-1-[(2S)-4-methyl-2,5-dihydrofuran-2-yl]hex-5-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(1R)-1-[(2S)-4-methyl-2,5-dihydrofuran-2-yl]hex-5-enoxy]silane is C=CCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C=C(C)CO1.
What is the InChIKey of tert-butyl-dimethyl-[(1R)-1-[(2S)-4-methyl-2,5-dihydrofuran-2-yl]hex-5-enoxy]silane?
The InChIKey is MFPPWRXKFNACPG-CVEARBPZSA-N. The full InChI is InChI=1S/C17H32O2Si/c1-8-9-10-11-15(16-12-14(2)13-18-16)19-20(6,7)17(3,4)5/h8,12,15-16H,1,9-11,13H2,2-7H3/t15-,16+/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(1R)-1-[(2S)-4-methyl-2,5-dihydrofuran-2-yl]hex-5-enoxy]silane?
tert-butyl-dimethyl-[(1R)-1-[(2S)-4-methyl-2,5-dihydrofuran-2-yl]hex-5-enoxy]silane has a molecular weight of 296.53 g/mol, XLogP of 5.08, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(1R)-1-[(2S)-4-methyl-2,5-dihydrofuran-2-yl]hex-5-enoxy]silane is sourced from PubChem (CID 10732731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).