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

C11H21BSSi — CID 586397

IUPAC4,5-diethyl-2,2-dimethyl-3-prop-1-en-2-yl-1,2,5-thiasilaborole
SMILESC=C(C)C1=C(CC)B(CC)S[Si]1(C)C
InChIInChI=1S/C11H21BSSi/c1-7-10-11(9(3)4)14(5,6)13-12(10)8-2/h3,7-8H2,1-2,4-6H3
InChIKeyRSCMEHSYCBCDCU-UHFFFAOYSA-N
MW224.25 g/mol
LogP4.31
Rot. Bonds3

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

4,5-diethyl-2,2-dimethyl-3-prop-1-en-2-yl-1,2,5-thiasilaborole (PubChem CID 586397) has the molecular formula C11H21BSSi and a molecular weight of 224.25 g/mol. Its IUPAC name is 4,5-diethyl-2,2-dimethyl-3-prop-1-en-2-yl-1,2,5-thiasilaborole.

Molecular Properties

Compound Name4,5-diethyl-2,2-dimethyl-3-prop-1-en-2-yl-1,2,5-thiasilaborole
PubChem CID586397
Molecular FormulaC11H21BSSi
Molecular Weight224.25 g/mol
Exact Mass224.12
IUPAC Name4,5-diethyl-2,2-dimethyl-3-prop-1-en-2-yl-1,2,5-thiasilaborole
SMILESC=C(C)C1=C(CC)B(CC)S[Si]1(C)C
InChIInChI=1S/C11H21BSSi/c1-7-10-11(9(3)4)14(5,6)13-12(10)8-2/h3,7-8H2,1-2,4-6H3
InChIKeyRSCMEHSYCBCDCU-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 54.31
H-Bond Donors ≤ 50
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-1,2,5-thiasilaborole?
The IUPAC name of 4,5-diethyl-2,2-dimethyl-3-prop-1-en-2-yl-1,2,5-thiasilaborole (CID 586397) is 4,5-diethyl-2,2-dimethyl-3-prop-1-en-2-yl-1,2,5-thiasilaborole.
What is the SMILES notation for 4,5-diethyl-2,2-dimethyl-3-prop-1-en-2-yl-1,2,5-thiasilaborole?
The canonical SMILES for 4,5-diethyl-2,2-dimethyl-3-prop-1-en-2-yl-1,2,5-thiasilaborole is C=C(C)C1=C(CC)B(CC)S[Si]1(C)C.
What is the InChIKey of 4,5-diethyl-2,2-dimethyl-3-prop-1-en-2-yl-1,2,5-thiasilaborole?
The InChIKey is RSCMEHSYCBCDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BSSi/c1-7-10-11(9(3)4)14(5,6)13-12(10)8-2/h3,7-8H2,1-2,4-6H3.
What are the key properties of 4,5-diethyl-2,2-dimethyl-3-prop-1-en-2-yl-1,2,5-thiasilaborole?
4,5-diethyl-2,2-dimethyl-3-prop-1-en-2-yl-1,2,5-thiasilaborole has a molecular weight of 224.25 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 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-1,2,5-thiasilaborole is sourced from PubChem (CID 586397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).