tert-butyl-[(E)-6-(3,4-dihydro-2H-pyran-6-yl)hex-5-enoxy]-dimethylsilane

C17H32O2Si — CID 139254024

IUPACtert-butyl-[(E)-6-(3,4-dihydro-2H-pyran-6-yl)hex-5-enoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCC/C=C/C1=CCCCO1
InChIInChI=1S/C17H32O2Si/c1-17(2,3)20(4,5)19-15-10-7-6-8-12-16-13-9-11-14-18-16/h8,12-13H,6-7,9-11,14-15H2,1-5H3/b12-8+
InChIKeyQNJBXXUWEVLOJD-XYOKQWHBSA-N
MW296.53 g/mol
LogP5.43
Rot. Bonds7

About tert-butyl-[(E)-6-(3,4-dihydro-2H-pyran-6-yl)hex-5-enoxy]-dimethylsilane

tert-butyl-[(E)-6-(3,4-dihydro-2H-pyran-6-yl)hex-5-enoxy]-dimethylsilane (PubChem CID 139254024) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is tert-butyl-[(E)-6-(3,4-dihydro-2H-pyran-6-yl)hex-5-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-6-(3,4-dihydro-2H-pyran-6-yl)hex-5-enoxy]-dimethylsilane
PubChem CID139254024
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Nametert-butyl-[(E)-6-(3,4-dihydro-2H-pyran-6-yl)hex-5-enoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCC/C=C/C1=CCCCO1
InChIInChI=1S/C17H32O2Si/c1-17(2,3)20(4,5)19-15-10-7-6-8-12-16-13-9-11-14-18-16/h8,12-13H,6-7,9-11,14-15H2,1-5H3/b12-8+
InChIKeyQNJBXXUWEVLOJD-XYOKQWHBSA-N
XLogP5.43
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 ≤ 55.43
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'}

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Related Compounds

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Tert-butyl-(3-methoxycyclohexa-1,3-dien-1-yl)oxy-dimethylsilane
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(2-Ethyl-5-prop-2-enoxycyclohexa-1,5-dien-1-yl)oxy-trimethylsilane
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[(1E,3E)-1-(3,4-dihydro-2H-pyran-6-yl)-1-methoxyhepta-1,3-dien-3-yl]-trimethylsilane
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tert-butyl-dimethyl-[3-[(2R,6R)-2-propyl-3,6-dihydro-2H-pyran-6-yl]propoxy]silane
CID 11055638
tert-butyl-[(5Z)-8-ethoxydeca-5,9-dienoxy]-dimethylsilane
CID 11197759
tert-butyl-dimethyl-[3-(4-methyl-5-methylidene-2H-pyran-2-yl)propoxy]silane
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tert-butyl-[(E)-7-(2-ethoxyethoxy)hept-5-enoxy]-dimethylsilane
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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-6-(3,4-dihydro-2H-pyran-6-yl)hex-5-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-6-(3,4-dihydro-2H-pyran-6-yl)hex-5-enoxy]-dimethylsilane (CID 139254024) is tert-butyl-[(E)-6-(3,4-dihydro-2H-pyran-6-yl)hex-5-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-6-(3,4-dihydro-2H-pyran-6-yl)hex-5-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-6-(3,4-dihydro-2H-pyran-6-yl)hex-5-enoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCCCC/C=C/C1=CCCCO1.
What is the InChIKey of tert-butyl-[(E)-6-(3,4-dihydro-2H-pyran-6-yl)hex-5-enoxy]-dimethylsilane?
The InChIKey is QNJBXXUWEVLOJD-XYOKQWHBSA-N. The full InChI is InChI=1S/C17H32O2Si/c1-17(2,3)20(4,5)19-15-10-7-6-8-12-16-13-9-11-14-18-16/h8,12-13H,6-7,9-11,14-15H2,1-5H3/b12-8+.
What are the key properties of tert-butyl-[(E)-6-(3,4-dihydro-2H-pyran-6-yl)hex-5-enoxy]-dimethylsilane?
tert-butyl-[(E)-6-(3,4-dihydro-2H-pyran-6-yl)hex-5-enoxy]-dimethylsilane has a molecular weight of 296.53 g/mol, XLogP of 5.43, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-6-(3,4-dihydro-2H-pyran-6-yl)hex-5-enoxy]-dimethylsilane is sourced from PubChem (CID 139254024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).