dichloro-[chloro-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)boranyl]-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane

C20H30BCl3Si — CID 624606

IUPACdichloro-[chloro-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)boranyl]-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane
SMILESCC1=C(C)C(C)(B(Cl)[Si](Cl)(Cl)C2(C)C(C)=C(C)C(C)=C2C)C(C)=C1C
InChIInChI=1S/C20H30BCl3Si/c1-11-12(2)16(6)19(9,15(11)5)21(22)25(23,24)20(10)17(7)13(3)14(4)18(20)8/h1-10H3
InChIKeyREPQOSFMNIUDGU-UHFFFAOYSA-N
MW415.72 g/mol
LogP8.11
Rot. Bonds3

About dichloro-[chloro-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)boranyl]-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane

dichloro-[chloro-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)boranyl]-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 624606) has the molecular formula C20H30BCl3Si and a molecular weight of 415.72 g/mol. Its IUPAC name is dichloro-[chloro-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)boranyl]-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

Compound Namedichloro-[chloro-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)boranyl]-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane
PubChem CID624606
Molecular FormulaC20H30BCl3Si
Molecular Weight415.72 g/mol
Exact Mass414.13
IUPAC Namedichloro-[chloro-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)boranyl]-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane
SMILESCC1=C(C)C(C)(B(Cl)[Si](Cl)(Cl)C2(C)C(C)=C(C)C(C)=C2C)C(C)=C1C
InChIInChI=1S/C20H30BCl3Si/c1-11-12(2)16(6)19(9,15(11)5)21(22)25(23,24)20(10)17(7)13(3)14(4)18(20)8/h1-10H3
InChIKeyREPQOSFMNIUDGU-UHFFFAOYSA-N
XLogP8.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.72
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dichloro-[chloro-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)boranyl]-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane?
The IUPAC name of dichloro-[chloro-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)boranyl]-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane (CID 624606) is dichloro-[chloro-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)boranyl]-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane.
What is the SMILES notation for dichloro-[chloro-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)boranyl]-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane?
The canonical SMILES for dichloro-[chloro-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)boranyl]-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane is CC1=C(C)C(C)(B(Cl)[Si](Cl)(Cl)C2(C)C(C)=C(C)C(C)=C2C)C(C)=C1C.
What is the InChIKey of dichloro-[chloro-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)boranyl]-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane?
The InChIKey is REPQOSFMNIUDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30BCl3Si/c1-11-12(2)16(6)19(9,15(11)5)21(22)25(23,24)20(10)17(7)13(3)14(4)18(20)8/h1-10H3.
What are the key properties of dichloro-[chloro-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)boranyl]-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane?
dichloro-[chloro-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)boranyl]-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 415.72 g/mol, XLogP of 8.11, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-[chloro-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)boranyl]-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 624606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).