tert-butyl-dimethyl-[3-[(2R,6R)-2-propyl-3,6-dihydro-2H-pyran-6-yl]propoxy]silane

C17H34O2Si — CID 11055638

IUPACtert-butyl-dimethyl-[3-[(2R,6R)-2-propyl-3,6-dihydro-2H-pyran-6-yl]propoxy]silane
SMILESCCC[C@@H]1CC=C[C@@H](CCCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C17H34O2Si/c1-7-10-15-11-8-12-16(19-15)13-9-14-18-20(5,6)17(2,3)4/h8,12,15-16H,7,9-11,13-14H2,1-6H3/t15-,16+/m1/s1
InChIKeyXAUDJPIZXJMPKR-CVEARBPZSA-N
MW298.54 g/mol
LogP5.30
Rot. Bonds7

About tert-butyl-dimethyl-[3-[(2R,6R)-2-propyl-3,6-dihydro-2H-pyran-6-yl]propoxy]silane

tert-butyl-dimethyl-[3-[(2R,6R)-2-propyl-3,6-dihydro-2H-pyran-6-yl]propoxy]silane (PubChem CID 11055638) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is tert-butyl-dimethyl-[3-[(2R,6R)-2-propyl-3,6-dihydro-2H-pyran-6-yl]propoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[3-[(2R,6R)-2-propyl-3,6-dihydro-2H-pyran-6-yl]propoxy]silane
PubChem CID11055638
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Nametert-butyl-dimethyl-[3-[(2R,6R)-2-propyl-3,6-dihydro-2H-pyran-6-yl]propoxy]silane
SMILESCCC[C@@H]1CC=C[C@@H](CCCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C17H34O2Si/c1-7-10-15-11-8-12-16(19-15)13-9-14-18-20(5,6)17(2,3)4/h8,12,15-16H,7,9-11,13-14H2,1-6H3/t15-,16+/m1/s1
InChIKeyXAUDJPIZXJMPKR-CVEARBPZSA-N
XLogP5.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.54
LogP ≤ 55.30
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
(1S,4R)-1-Acetoxy-4-(tert-butyldimethylsilanyloxy)-2-cyclohexene
CID 10978542
tert-butyl-[(Z)-4-methoxyoct-2-enoxy]-dimethylsilane
CID 11529167
tert-butyl-[(E,2S)-4-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]-2-methylpent-3-enoxy]-dimethylsilane
CID 16115684
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-[(Z)-3-[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]prop-2-enoxy]-dimethylsilane
CID 134941898
tert-butyl-[(E)-6-(3,4-dihydro-2H-pyran-6-yl)hex-5-enoxy]-dimethylsilane
CID 139254024
2,2,4-Trimethyl-3-[2-dimethyl(tert-butyl)silyloxyethyl]-6-ethenyl-5,6-dihydropyrane
CID 554486
tert-butyl-dimethyl-[(1R)-1-[(2S)-4-methyl-2,5-dihydrofuran-2-yl]hex-5-enoxy]silane
CID 10732731
tert-butyl-[(4E)-8-ethenoxydeca-4,9-dienoxy]-dimethylsilane
CID 10757362
tert-butyl-dimethyl-[(1S)-1-[(2S)-4-methyl-2,5-dihydrofuran-2-yl]hex-5-enoxy]silane
CID 10803913
tert-butyl-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-yl]oxy-dimethylsilane
CID 11067856

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[3-[(2R,6R)-2-propyl-3,6-dihydro-2H-pyran-6-yl]propoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[3-[(2R,6R)-2-propyl-3,6-dihydro-2H-pyran-6-yl]propoxy]silane (CID 11055638) is tert-butyl-dimethyl-[3-[(2R,6R)-2-propyl-3,6-dihydro-2H-pyran-6-yl]propoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[3-[(2R,6R)-2-propyl-3,6-dihydro-2H-pyran-6-yl]propoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[3-[(2R,6R)-2-propyl-3,6-dihydro-2H-pyran-6-yl]propoxy]silane is CCC[C@@H]1CC=C[C@@H](CCCO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of tert-butyl-dimethyl-[3-[(2R,6R)-2-propyl-3,6-dihydro-2H-pyran-6-yl]propoxy]silane?
The InChIKey is XAUDJPIZXJMPKR-CVEARBPZSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-7-10-15-11-8-12-16(19-15)13-9-14-18-20(5,6)17(2,3)4/h8,12,15-16H,7,9-11,13-14H2,1-6H3/t15-,16+/m1/s1.
What are the key properties of tert-butyl-dimethyl-[3-[(2R,6R)-2-propyl-3,6-dihydro-2H-pyran-6-yl]propoxy]silane?
tert-butyl-dimethyl-[3-[(2R,6R)-2-propyl-3,6-dihydro-2H-pyran-6-yl]propoxy]silane has a molecular weight of 298.54 g/mol, XLogP of 5.30, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[3-[(2R,6R)-2-propyl-3,6-dihydro-2H-pyran-6-yl]propoxy]silane is sourced from PubChem (CID 11055638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).