tert-butyl-dimethyl-[[(2E,13Z)-1-oxacyclopentadeca-2,13-dien-2-yl]oxy]silane

C20H38O2Si — CID 134840408

IUPACtert-butyl-dimethyl-[[(2E,13Z)-1-oxacyclopentadeca-2,13-dien-2-yl]oxy]silane
SMILESCC(C)(C)[Si](C)(C)O/C1=C/CCCCCCCCC/C=C\CO1
InChIInChI=1S/C20H38O2Si/c1-20(2,3)23(4,5)22-19-17-15-13-11-9-7-6-8-10-12-14-16-18-21-19/h14,16-17H,6-13,15,18H2,1-5H3/b16-14-,19-17+
InChIKeyUTRUBPZRFNNNAJ-JWCBKIGOSA-N
MW338.61 g/mol
LogP6.95
Rot. Bonds2

About tert-butyl-dimethyl-[[(2E,13Z)-1-oxacyclopentadeca-2,13-dien-2-yl]oxy]silane

tert-butyl-dimethyl-[[(2E,13Z)-1-oxacyclopentadeca-2,13-dien-2-yl]oxy]silane (PubChem CID 134840408) has the molecular formula C20H38O2Si and a molecular weight of 338.61 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(2E,13Z)-1-oxacyclopentadeca-2,13-dien-2-yl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(2E,13Z)-1-oxacyclopentadeca-2,13-dien-2-yl]oxy]silane
PubChem CID134840408
Molecular FormulaC20H38O2Si
Molecular Weight338.61 g/mol
Exact Mass338.26
IUPAC Nametert-butyl-dimethyl-[[(2E,13Z)-1-oxacyclopentadeca-2,13-dien-2-yl]oxy]silane
SMILESCC(C)(C)[Si](C)(C)O/C1=C/CCCCCCCCC/C=C\CO1
InChIInChI=1S/C20H38O2Si/c1-20(2,3)23(4,5)22-19-17-15-13-11-9-7-6-8-10-12-14-16-18-21-19/h14,16-17H,6-13,15,18H2,1-5H3/b16-14-,19-17+
InChIKeyUTRUBPZRFNNNAJ-JWCBKIGOSA-N
XLogP6.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.61
LogP ≤ 56.95
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

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[1-[(E)-dec-2-enoxy]-2-methylprop-1-enoxy]-trimethylsilane
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(1-Dec-2-enoxy-2-methylprop-1-enoxy)-trimethylsilane
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Dec-2-enoxy-dimethyl-(2-methylprop-1-enoxymethyl)silane
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(3-Dec-2-enoxy-2-methylprop-1-enoxy)-trimethylsilane
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1-Dec-2-enoxy-2-methyl-3-trimethylsilylprop-1-en-1-ol
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(2-Dec-2-enoxy-3-methylbut-2-enyl)-hydroxy-dimethylsilane
CID 173430264
tert-butyl-[(1E,4E)-6-(methoxymethoxy)heptadeca-1,4-dienoxy]-dimethylsilane
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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(2E,13Z)-1-oxacyclopentadeca-2,13-dien-2-yl]oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(2E,13Z)-1-oxacyclopentadeca-2,13-dien-2-yl]oxy]silane (CID 134840408) is tert-butyl-dimethyl-[[(2E,13Z)-1-oxacyclopentadeca-2,13-dien-2-yl]oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(2E,13Z)-1-oxacyclopentadeca-2,13-dien-2-yl]oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(2E,13Z)-1-oxacyclopentadeca-2,13-dien-2-yl]oxy]silane is CC(C)(C)[Si](C)(C)O/C1=C/CCCCCCCCC/C=C\CO1.
What is the InChIKey of tert-butyl-dimethyl-[[(2E,13Z)-1-oxacyclopentadeca-2,13-dien-2-yl]oxy]silane?
The InChIKey is UTRUBPZRFNNNAJ-JWCBKIGOSA-N. The full InChI is InChI=1S/C20H38O2Si/c1-20(2,3)23(4,5)22-19-17-15-13-11-9-7-6-8-10-12-14-16-18-21-19/h14,16-17H,6-13,15,18H2,1-5H3/b16-14-,19-17+.
What are the key properties of tert-butyl-dimethyl-[[(2E,13Z)-1-oxacyclopentadeca-2,13-dien-2-yl]oxy]silane?
tert-butyl-dimethyl-[[(2E,13Z)-1-oxacyclopentadeca-2,13-dien-2-yl]oxy]silane has a molecular weight of 338.61 g/mol, XLogP of 6.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(2E,13Z)-1-oxacyclopentadeca-2,13-dien-2-yl]oxy]silane is sourced from PubChem (CID 134840408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).