4,5-diethyl-2,2-dimethyl-3-prop-1-en-2-yl-1H-1,2,5-azasilaborole

C11H22BNSi — CID 14024397

IUPAC4,5-diethyl-2,2-dimethyl-3-prop-1-en-2-yl-1H-1,2,5-azasilaborole
SMILESC=C(C)C1=C(CC)B(CC)N[Si]1(C)C
InChIInChI=1S/C11H22BNSi/c1-7-10-11(9(3)4)14(5,6)13-12(10)8-2/h13H,3,7-8H2,1-2,4-6H3
InChIKeyDZWBEDOAVOSYFJ-UHFFFAOYSA-N
MW207.20 g/mol
LogP3.17
Rot. Bonds3

About 4,5-diethyl-2,2-dimethyl-3-prop-1-en-2-yl-1H-1,2,5-azasilaborole

4,5-diethyl-2,2-dimethyl-3-prop-1-en-2-yl-1H-1,2,5-azasilaborole (PubChem CID 14024397) has the molecular formula C11H22BNSi and a molecular weight of 207.20 g/mol. Its IUPAC name is 4,5-diethyl-2,2-dimethyl-3-prop-1-en-2-yl-1H-1,2,5-azasilaborole.

Molecular Properties

Compound Name4,5-diethyl-2,2-dimethyl-3-prop-1-en-2-yl-1H-1,2,5-azasilaborole
PubChem CID14024397
Molecular FormulaC11H22BNSi
Molecular Weight207.20 g/mol
Exact Mass207.16
IUPAC Name4,5-diethyl-2,2-dimethyl-3-prop-1-en-2-yl-1H-1,2,5-azasilaborole
SMILESC=C(C)C1=C(CC)B(CC)N[Si]1(C)C
InChIInChI=1S/C11H22BNSi/c1-7-10-11(9(3)4)14(5,6)13-12(10)8-2/h13H,3,7-8H2,1-2,4-6H3
InChIKeyDZWBEDOAVOSYFJ-UHFFFAOYSA-N
XLogP3.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 4,5-diethyl-2,2-dimethyl-3-prop-1-en-2-yl-1H-1,2,5-azasilaborole?
The IUPAC name of 4,5-diethyl-2,2-dimethyl-3-prop-1-en-2-yl-1H-1,2,5-azasilaborole (CID 14024397) is 4,5-diethyl-2,2-dimethyl-3-prop-1-en-2-yl-1H-1,2,5-azasilaborole.
What is the SMILES notation for 4,5-diethyl-2,2-dimethyl-3-prop-1-en-2-yl-1H-1,2,5-azasilaborole?
The canonical SMILES for 4,5-diethyl-2,2-dimethyl-3-prop-1-en-2-yl-1H-1,2,5-azasilaborole is C=C(C)C1=C(CC)B(CC)N[Si]1(C)C.
What is the InChIKey of 4,5-diethyl-2,2-dimethyl-3-prop-1-en-2-yl-1H-1,2,5-azasilaborole?
The InChIKey is DZWBEDOAVOSYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BNSi/c1-7-10-11(9(3)4)14(5,6)13-12(10)8-2/h13H,3,7-8H2,1-2,4-6H3.
What are the key properties of 4,5-diethyl-2,2-dimethyl-3-prop-1-en-2-yl-1H-1,2,5-azasilaborole?
4,5-diethyl-2,2-dimethyl-3-prop-1-en-2-yl-1H-1,2,5-azasilaborole has a molecular weight of 207.20 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-2,2-dimethyl-3-prop-1-en-2-yl-1H-1,2,5-azasilaborole is sourced from PubChem (CID 14024397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).