tert-butyl-dimethyl-[[(4Z,9E)-3,6,7,8-tetrahydro-2H-oxecin-10-yl]oxy]silane

C15H28O2Si — CID 11536324

IUPACtert-butyl-dimethyl-[[(4Z,9E)-3,6,7,8-tetrahydro-2H-oxecin-10-yl]oxy]silane
SMILESCC(C)(C)[Si](C)(C)O/C1=C/CCC/C=C\CCO1
InChIInChI=1S/C15H28O2Si/c1-15(2,3)18(4,5)17-14-12-10-8-6-7-9-11-13-16-14/h7,9,12H,6,8,10-11,13H2,1-5H3/b9-7-,14-12+
InChIKeyBLAXKWJFPOLXNU-LTPFSSFFSA-N
MW268.47 g/mol
LogP5.00
Rot. Bonds2

About tert-butyl-dimethyl-[[(4Z,9E)-3,6,7,8-tetrahydro-2H-oxecin-10-yl]oxy]silane

tert-butyl-dimethyl-[[(4Z,9E)-3,6,7,8-tetrahydro-2H-oxecin-10-yl]oxy]silane (PubChem CID 11536324) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(4Z,9E)-3,6,7,8-tetrahydro-2H-oxecin-10-yl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(4Z,9E)-3,6,7,8-tetrahydro-2H-oxecin-10-yl]oxy]silane
PubChem CID11536324
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Nametert-butyl-dimethyl-[[(4Z,9E)-3,6,7,8-tetrahydro-2H-oxecin-10-yl]oxy]silane
SMILESCC(C)(C)[Si](C)(C)O/C1=C/CCC/C=C\CCO1
InChIInChI=1S/C15H28O2Si/c1-15(2,3)18(4,5)17-14-12-10-8-6-7-9-11-13-16-14/h7,9,12H,6,8,10-11,13H2,1-5H3/b9-7-,14-12+
InChIKeyBLAXKWJFPOLXNU-LTPFSSFFSA-N
XLogP5.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 55.00
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(4Z,9E)-3,6,7,8-tetrahydro-2H-oxecin-10-yl]oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(4Z,9E)-3,6,7,8-tetrahydro-2H-oxecin-10-yl]oxy]silane (CID 11536324) is tert-butyl-dimethyl-[[(4Z,9E)-3,6,7,8-tetrahydro-2H-oxecin-10-yl]oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(4Z,9E)-3,6,7,8-tetrahydro-2H-oxecin-10-yl]oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(4Z,9E)-3,6,7,8-tetrahydro-2H-oxecin-10-yl]oxy]silane is CC(C)(C)[Si](C)(C)O/C1=C/CCC/C=C\CCO1.
What is the InChIKey of tert-butyl-dimethyl-[[(4Z,9E)-3,6,7,8-tetrahydro-2H-oxecin-10-yl]oxy]silane?
The InChIKey is BLAXKWJFPOLXNU-LTPFSSFFSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-15(2,3)18(4,5)17-14-12-10-8-6-7-9-11-13-16-14/h7,9,12H,6,8,10-11,13H2,1-5H3/b9-7-,14-12+.
What are the key properties of tert-butyl-dimethyl-[[(4Z,9E)-3,6,7,8-tetrahydro-2H-oxecin-10-yl]oxy]silane?
tert-butyl-dimethyl-[[(4Z,9E)-3,6,7,8-tetrahydro-2H-oxecin-10-yl]oxy]silane has a molecular weight of 268.47 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(4Z,9E)-3,6,7,8-tetrahydro-2H-oxecin-10-yl]oxy]silane is sourced from PubChem (CID 11536324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).