tert-butyl-dimethyl-[(Z)-9-(oxan-2-yloxy)non-6-en-2-yl]oxysilane

C20H40O3Si — CID 11760091

IUPACtert-butyl-dimethyl-[(Z)-9-(oxan-2-yloxy)non-6-en-2-yl]oxysilane
SMILESCC(CCC/C=C\CCOC1CCCCO1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40O3Si/c1-18(23-24(5,6)20(2,3)4)14-10-8-7-9-12-16-21-19-15-11-13-17-22-19/h7,9,18-19H,8,10-17H2,1-6H3/b9-7-
InChIKeyVFXFYLNOTGVKAL-CLFYSBASSA-N
MW356.62 g/mol
LogP6.06
Rot. Bonds10

About tert-butyl-dimethyl-[(Z)-9-(oxan-2-yloxy)non-6-en-2-yl]oxysilane

tert-butyl-dimethyl-[(Z)-9-(oxan-2-yloxy)non-6-en-2-yl]oxysilane (PubChem CID 11760091) has the molecular formula C20H40O3Si and a molecular weight of 356.62 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(Z)-9-(oxan-2-yloxy)non-6-en-2-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(Z)-9-(oxan-2-yloxy)non-6-en-2-yl]oxysilane
PubChem CID11760091
Molecular FormulaC20H40O3Si
Molecular Weight356.62 g/mol
Exact Mass356.27
IUPAC Nametert-butyl-dimethyl-[(Z)-9-(oxan-2-yloxy)non-6-en-2-yl]oxysilane
SMILESCC(CCC/C=C\CCOC1CCCCO1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40O3Si/c1-18(23-24(5,6)20(2,3)4)14-10-8-7-9-12-16-21-19-15-11-13-17-22-19/h7,9,18-19H,8,10-17H2,1-6H3/b9-7-
InChIKeyVFXFYLNOTGVKAL-CLFYSBASSA-N
XLogP6.06
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.62
LogP ≤ 56.06
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(Z)-9-(oxan-2-yloxy)non-6-en-2-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(Z)-9-(oxan-2-yloxy)non-6-en-2-yl]oxysilane (CID 11760091) is tert-butyl-dimethyl-[(Z)-9-(oxan-2-yloxy)non-6-en-2-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(Z)-9-(oxan-2-yloxy)non-6-en-2-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(Z)-9-(oxan-2-yloxy)non-6-en-2-yl]oxysilane is CC(CCC/C=C\CCOC1CCCCO1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(Z)-9-(oxan-2-yloxy)non-6-en-2-yl]oxysilane?
The InChIKey is VFXFYLNOTGVKAL-CLFYSBASSA-N. The full InChI is InChI=1S/C20H40O3Si/c1-18(23-24(5,6)20(2,3)4)14-10-8-7-9-12-16-21-19-15-11-13-17-22-19/h7,9,18-19H,8,10-17H2,1-6H3/b9-7-.
What are the key properties of tert-butyl-dimethyl-[(Z)-9-(oxan-2-yloxy)non-6-en-2-yl]oxysilane?
tert-butyl-dimethyl-[(Z)-9-(oxan-2-yloxy)non-6-en-2-yl]oxysilane has a molecular weight of 356.62 g/mol, XLogP of 6.06, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(Z)-9-(oxan-2-yloxy)non-6-en-2-yl]oxysilane is sourced from PubChem (CID 11760091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).