tert-butyl-[(E,2S)-9-(1,3-dioxolan-2-yl)non-6-en-2-yl]oxy-dimethylsilane

C18H36O3Si — CID 134983641

IUPACtert-butyl-[(E,2S)-9-(1,3-dioxolan-2-yl)non-6-en-2-yl]oxy-dimethylsilane
SMILESC[C@@H](CCC/C=C/CCC1OCCO1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O3Si/c1-16(21-22(5,6)18(2,3)4)12-10-8-7-9-11-13-17-19-14-15-20-17/h7,9,16-17H,8,10-15H2,1-6H3/b9-7+/t16-/m0/s1
InChIKeyIODFMASBTSGGGT-DYLHUKMJSA-N
MW328.57 g/mol
LogP5.28
Rot. Bonds9

About tert-butyl-[(E,2S)-9-(1,3-dioxolan-2-yl)non-6-en-2-yl]oxy-dimethylsilane

tert-butyl-[(E,2S)-9-(1,3-dioxolan-2-yl)non-6-en-2-yl]oxy-dimethylsilane (PubChem CID 134983641) has the molecular formula C18H36O3Si and a molecular weight of 328.57 g/mol. Its IUPAC name is tert-butyl-[(E,2S)-9-(1,3-dioxolan-2-yl)non-6-en-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,2S)-9-(1,3-dioxolan-2-yl)non-6-en-2-yl]oxy-dimethylsilane
PubChem CID134983641
Molecular FormulaC18H36O3Si
Molecular Weight328.57 g/mol
Exact Mass328.24
IUPAC Nametert-butyl-[(E,2S)-9-(1,3-dioxolan-2-yl)non-6-en-2-yl]oxy-dimethylsilane
SMILESC[C@@H](CCC/C=C/CCC1OCCO1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O3Si/c1-16(21-22(5,6)18(2,3)4)12-10-8-7-9-11-13-17-19-14-15-20-17/h7,9,16-17H,8,10-15H2,1-6H3/b9-7+/t16-/m0/s1
InChIKeyIODFMASBTSGGGT-DYLHUKMJSA-N
XLogP5.28
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.57
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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CID 11004320
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CID 554645
zinc;tert-butyl-dimethyl-[(2R,6E)-nona-6,8-dien-2-yl]oxysilane;carbanide
CID 177442884
(Z,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-4-en-1-ol
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tert-butyl-[(2R)-hept-6-yn-2-yl]oxy-dimethylsilane
CID 25098862
tert-butyl-dimethyl-pentadecan-2-yloxysilane
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tert-butyl-dimethyl-tridecan-2-yloxysilane
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acetic acid;6-[tert-butyl(dimethyl)silyl]oxyheptan-1-ol
CID 71401033
[(2R)-7-bromoheptan-2-yl]oxy-tert-butyl-dimethylsilane
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(5R,8R)-8-[tert-butyl(dimethyl)silyl]oxynonane-1,5-diol
CID 101258816
(5R,8S)-8-[tert-butyl(dimethyl)silyl]oxynonane-1,5-diol
CID 101258818

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,2S)-9-(1,3-dioxolan-2-yl)non-6-en-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(E,2S)-9-(1,3-dioxolan-2-yl)non-6-en-2-yl]oxy-dimethylsilane (CID 134983641) is tert-butyl-[(E,2S)-9-(1,3-dioxolan-2-yl)non-6-en-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,2S)-9-(1,3-dioxolan-2-yl)non-6-en-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,2S)-9-(1,3-dioxolan-2-yl)non-6-en-2-yl]oxy-dimethylsilane is C[C@@H](CCC/C=C/CCC1OCCO1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E,2S)-9-(1,3-dioxolan-2-yl)non-6-en-2-yl]oxy-dimethylsilane?
The InChIKey is IODFMASBTSGGGT-DYLHUKMJSA-N. The full InChI is InChI=1S/C18H36O3Si/c1-16(21-22(5,6)18(2,3)4)12-10-8-7-9-11-13-17-19-14-15-20-17/h7,9,16-17H,8,10-15H2,1-6H3/b9-7+/t16-/m0/s1.
What are the key properties of tert-butyl-[(E,2S)-9-(1,3-dioxolan-2-yl)non-6-en-2-yl]oxy-dimethylsilane?
tert-butyl-[(E,2S)-9-(1,3-dioxolan-2-yl)non-6-en-2-yl]oxy-dimethylsilane has a molecular weight of 328.57 g/mol, XLogP of 5.28, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,2S)-9-(1,3-dioxolan-2-yl)non-6-en-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 134983641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).