tert-butyl-dimethyl-[[(2E,11E)-1-oxacyclotrideca-2,11-dien-2-yl]oxy]silane

C18H34O2Si — CID 134840461

IUPACtert-butyl-dimethyl-[[(2E,11E)-1-oxacyclotrideca-2,11-dien-2-yl]oxy]silane
SMILESCC(C)(C)[Si](C)(C)O/C1=C/CCCCCCC/C=C/CO1
InChIInChI=1S/C18H34O2Si/c1-18(2,3)21(4,5)20-17-15-13-11-9-7-6-8-10-12-14-16-19-17/h12,14-15H,6-11,13,16H2,1-5H3/b14-12+,17-15+
InChIKeyBRGUJNCHOOHAEG-FAHPUHHFSA-N
MW310.55 g/mol
LogP6.17
Rot. Bonds2

About tert-butyl-dimethyl-[[(2E,11E)-1-oxacyclotrideca-2,11-dien-2-yl]oxy]silane

tert-butyl-dimethyl-[[(2E,11E)-1-oxacyclotrideca-2,11-dien-2-yl]oxy]silane (PubChem CID 134840461) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(2E,11E)-1-oxacyclotrideca-2,11-dien-2-yl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(2E,11E)-1-oxacyclotrideca-2,11-dien-2-yl]oxy]silane
PubChem CID134840461
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Nametert-butyl-dimethyl-[[(2E,11E)-1-oxacyclotrideca-2,11-dien-2-yl]oxy]silane
SMILESCC(C)(C)[Si](C)(C)O/C1=C/CCCCCCC/C=C/CO1
InChIInChI=1S/C18H34O2Si/c1-18(2,3)21(4,5)20-17-15-13-11-9-7-6-8-10-12-14-16-19-17/h12,14-15H,6-11,13,16H2,1-5H3/b14-12+,17-15+
InChIKeyBRGUJNCHOOHAEG-FAHPUHHFSA-N
XLogP6.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.55
LogP ≤ 56.17
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(2E,11E)-1-oxacyclotrideca-2,11-dien-2-yl]oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(2E,11E)-1-oxacyclotrideca-2,11-dien-2-yl]oxy]silane (CID 134840461) is tert-butyl-dimethyl-[[(2E,11E)-1-oxacyclotrideca-2,11-dien-2-yl]oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(2E,11E)-1-oxacyclotrideca-2,11-dien-2-yl]oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(2E,11E)-1-oxacyclotrideca-2,11-dien-2-yl]oxy]silane is CC(C)(C)[Si](C)(C)O/C1=C/CCCCCCC/C=C/CO1.
What is the InChIKey of tert-butyl-dimethyl-[[(2E,11E)-1-oxacyclotrideca-2,11-dien-2-yl]oxy]silane?
The InChIKey is BRGUJNCHOOHAEG-FAHPUHHFSA-N. The full InChI is InChI=1S/C18H34O2Si/c1-18(2,3)21(4,5)20-17-15-13-11-9-7-6-8-10-12-14-16-19-17/h12,14-15H,6-11,13,16H2,1-5H3/b14-12+,17-15+.
What are the key properties of tert-butyl-dimethyl-[[(2E,11E)-1-oxacyclotrideca-2,11-dien-2-yl]oxy]silane?
tert-butyl-dimethyl-[[(2E,11E)-1-oxacyclotrideca-2,11-dien-2-yl]oxy]silane has a molecular weight of 310.55 g/mol, XLogP of 6.17, 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,11E)-1-oxacyclotrideca-2,11-dien-2-yl]oxy]silane is sourced from PubChem (CID 134840461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).