(6Z)-2,2-diethyl-5,8-dihydro-4H-1,3,2-dioxasilocine

C9H18O2Si — CID 139030243

IUPAC(6Z)-2,2-diethyl-5,8-dihydro-4H-1,3,2-dioxasilocine
SMILESCC[Si]1(CC)OC/C=C\CCO1
InChIInChI=1S/C9H18O2Si/c1-3-12(4-2)10-8-6-5-7-9-11-12/h5-6H,3-4,7-9H2,1-2H3/b6-5-
InChIKeyVEPWFNJDVWARGY-WAYWQWQTSA-N
MW186.33 g/mol
LogP2.46
Rot. Bonds2

About (6Z)-2,2-diethyl-5,8-dihydro-4H-1,3,2-dioxasilocine

(6Z)-2,2-diethyl-5,8-dihydro-4H-1,3,2-dioxasilocine (PubChem CID 139030243) has the molecular formula C9H18O2Si and a molecular weight of 186.33 g/mol. Its IUPAC name is (6Z)-2,2-diethyl-5,8-dihydro-4H-1,3,2-dioxasilocine.

Molecular Properties

Compound Name(6Z)-2,2-diethyl-5,8-dihydro-4H-1,3,2-dioxasilocine
PubChem CID139030243
Molecular FormulaC9H18O2Si
Molecular Weight186.33 g/mol
Exact Mass186.11
IUPAC Name(6Z)-2,2-diethyl-5,8-dihydro-4H-1,3,2-dioxasilocine
SMILESCC[Si]1(CC)OC/C=C\CCO1
InChIInChI=1S/C9H18O2Si/c1-3-12(4-2)10-8-6-5-7-9-11-12/h5-6H,3-4,7-9H2,1-2H3/b6-5-
InChIKeyVEPWFNJDVWARGY-WAYWQWQTSA-N
XLogP2.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.33
LogP ≤ 52.46
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 (6Z)-2,2-diethyl-5,8-dihydro-4H-1,3,2-dioxasilocine?
The IUPAC name of (6Z)-2,2-diethyl-5,8-dihydro-4H-1,3,2-dioxasilocine (CID 139030243) is (6Z)-2,2-diethyl-5,8-dihydro-4H-1,3,2-dioxasilocine.
What is the SMILES notation for (6Z)-2,2-diethyl-5,8-dihydro-4H-1,3,2-dioxasilocine?
The canonical SMILES for (6Z)-2,2-diethyl-5,8-dihydro-4H-1,3,2-dioxasilocine is CC[Si]1(CC)OC/C=C\CCO1.
What is the InChIKey of (6Z)-2,2-diethyl-5,8-dihydro-4H-1,3,2-dioxasilocine?
The InChIKey is VEPWFNJDVWARGY-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H18O2Si/c1-3-12(4-2)10-8-6-5-7-9-11-12/h5-6H,3-4,7-9H2,1-2H3/b6-5-.
What are the key properties of (6Z)-2,2-diethyl-5,8-dihydro-4H-1,3,2-dioxasilocine?
(6Z)-2,2-diethyl-5,8-dihydro-4H-1,3,2-dioxasilocine has a molecular weight of 186.33 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-2,2-diethyl-5,8-dihydro-4H-1,3,2-dioxasilocine is sourced from PubChem (CID 139030243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).