2,6-diethyl-4,4,5-trimethyl-1,3,4,2-dioxasilaborinine

C9H19BO2Si — CID 13329733

IUPAC2,6-diethyl-4,4,5-trimethyl-1,3,4,2-dioxasilaborinine
SMILESCCB1OC(CC)=C(C)[Si](C)(C)O1
InChIInChI=1S/C9H19BO2Si/c1-6-9-8(3)13(4,5)12-10(7-2)11-9/h6-7H2,1-5H3
InChIKeyHWCKAKDIPBFXSH-UHFFFAOYSA-N
MW198.15 g/mol
LogP2.97
Rot. Bonds2

About 2,6-diethyl-4,4,5-trimethyl-1,3,4,2-dioxasilaborinine

2,6-diethyl-4,4,5-trimethyl-1,3,4,2-dioxasilaborinine (PubChem CID 13329733) has the molecular formula C9H19BO2Si and a molecular weight of 198.15 g/mol. Its IUPAC name is 2,6-diethyl-4,4,5-trimethyl-1,3,4,2-dioxasilaborinine.

Molecular Properties

Compound Name2,6-diethyl-4,4,5-trimethyl-1,3,4,2-dioxasilaborinine
PubChem CID13329733
Molecular FormulaC9H19BO2Si
Molecular Weight198.15 g/mol
Exact Mass198.12
IUPAC Name2,6-diethyl-4,4,5-trimethyl-1,3,4,2-dioxasilaborinine
SMILESCCB1OC(CC)=C(C)[Si](C)(C)O1
InChIInChI=1S/C9H19BO2Si/c1-6-9-8(3)13(4,5)12-10(7-2)11-9/h6-7H2,1-5H3
InChIKeyHWCKAKDIPBFXSH-UHFFFAOYSA-N
XLogP2.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.15
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-4,4,5-trimethyl-1,3,4,2-dioxasilaborinine?
The IUPAC name of 2,6-diethyl-4,4,5-trimethyl-1,3,4,2-dioxasilaborinine (CID 13329733) is 2,6-diethyl-4,4,5-trimethyl-1,3,4,2-dioxasilaborinine.
What is the SMILES notation for 2,6-diethyl-4,4,5-trimethyl-1,3,4,2-dioxasilaborinine?
The canonical SMILES for 2,6-diethyl-4,4,5-trimethyl-1,3,4,2-dioxasilaborinine is CCB1OC(CC)=C(C)[Si](C)(C)O1.
What is the InChIKey of 2,6-diethyl-4,4,5-trimethyl-1,3,4,2-dioxasilaborinine?
The InChIKey is HWCKAKDIPBFXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19BO2Si/c1-6-9-8(3)13(4,5)12-10(7-2)11-9/h6-7H2,1-5H3.
What are the key properties of 2,6-diethyl-4,4,5-trimethyl-1,3,4,2-dioxasilaborinine?
2,6-diethyl-4,4,5-trimethyl-1,3,4,2-dioxasilaborinine has a molecular weight of 198.15 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-4,4,5-trimethyl-1,3,4,2-dioxasilaborinine is sourced from PubChem (CID 13329733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).