(2-diethylboranyl-3,4,5-trimethylcyclopenta-2,4-dien-1-yl)silane

C12H23BSi — CID 173305253

IUPAC(2-diethylboranyl-3,4,5-trimethylcyclopenta-2,4-dien-1-yl)silane
SMILESCCB(CC)C1=C(C)C(C)=C(C)C1[SiH3]
InChIInChI=1S/C12H23BSi/c1-6-13(7-2)11-9(4)8(3)10(5)12(11)14/h12H,6-7H2,1-5,14H3
InChIKeyJNAWMEMTVMLFHY-UHFFFAOYSA-N
MW206.21 g/mol
LogP2.88
Rot. Bonds3

About (2-diethylboranyl-3,4,5-trimethylcyclopenta-2,4-dien-1-yl)silane

(2-diethylboranyl-3,4,5-trimethylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 173305253) has the molecular formula C12H23BSi and a molecular weight of 206.21 g/mol. Its IUPAC name is (2-diethylboranyl-3,4,5-trimethylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

Compound Name(2-diethylboranyl-3,4,5-trimethylcyclopenta-2,4-dien-1-yl)silane
PubChem CID173305253
Molecular FormulaC12H23BSi
Molecular Weight206.21 g/mol
Exact Mass206.17
IUPAC Name(2-diethylboranyl-3,4,5-trimethylcyclopenta-2,4-dien-1-yl)silane
SMILESCCB(CC)C1=C(C)C(C)=C(C)C1[SiH3]
InChIInChI=1S/C12H23BSi/c1-6-13(7-2)11-9(4)8(3)10(5)12(11)14/h12H,6-7H2,1-5,14H3
InChIKeyJNAWMEMTVMLFHY-UHFFFAOYSA-N
XLogP2.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-diethylboranyl-3,4,5-trimethylcyclopenta-2,4-dien-1-yl)silane?
The IUPAC name of (2-diethylboranyl-3,4,5-trimethylcyclopenta-2,4-dien-1-yl)silane (CID 173305253) is (2-diethylboranyl-3,4,5-trimethylcyclopenta-2,4-dien-1-yl)silane.
What is the SMILES notation for (2-diethylboranyl-3,4,5-trimethylcyclopenta-2,4-dien-1-yl)silane?
The canonical SMILES for (2-diethylboranyl-3,4,5-trimethylcyclopenta-2,4-dien-1-yl)silane is CCB(CC)C1=C(C)C(C)=C(C)C1[SiH3].
What is the InChIKey of (2-diethylboranyl-3,4,5-trimethylcyclopenta-2,4-dien-1-yl)silane?
The InChIKey is JNAWMEMTVMLFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BSi/c1-6-13(7-2)11-9(4)8(3)10(5)12(11)14/h12H,6-7H2,1-5,14H3.
What are the key properties of (2-diethylboranyl-3,4,5-trimethylcyclopenta-2,4-dien-1-yl)silane?
(2-diethylboranyl-3,4,5-trimethylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 206.21 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-diethylboranyl-3,4,5-trimethylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 173305253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).