bromo-methyl-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane

C21H33BrSi — CID 134901598

IUPACbromo-methyl-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane
SMILESCC1=C(C)C(C)([Si](C)(Br)C2(C)C(C)=C(C)C(C)=C2C)C(C)=C1C
InChIInChI=1S/C21H33BrSi/c1-12-13(2)17(6)20(9,16(12)5)23(11,22)21(10)18(7)14(3)15(4)19(21)8/h1-11H3
InChIKeyFXPYODJUYUZLJD-UHFFFAOYSA-N
MW393.49 g/mol
LogP7.85
Rot. Bonds2

About bromo-methyl-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane

bromo-methyl-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 134901598) has the molecular formula C21H33BrSi and a molecular weight of 393.49 g/mol. Its IUPAC name is bromo-methyl-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

Compound Namebromo-methyl-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane
PubChem CID134901598
Molecular FormulaC21H33BrSi
Molecular Weight393.49 g/mol
Exact Mass392.15
IUPAC Namebromo-methyl-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane
SMILESCC1=C(C)C(C)([Si](C)(Br)C2(C)C(C)=C(C)C(C)=C2C)C(C)=C1C
InChIInChI=1S/C21H33BrSi/c1-12-13(2)17(6)20(9,16(12)5)23(11,22)21(10)18(7)14(3)15(4)19(21)8/h1-11H3
InChIKeyFXPYODJUYUZLJD-UHFFFAOYSA-N
XLogP7.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 57.85
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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Related Compounds

5-(Trimethylsilyl)-1,2,3,4,5-pentamethyl-1,3-cyclopentadiene
CID 4338309
1,1,2,2-Tetramethyl-1,2-bis(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)disilane
CID 15327904
Dimethyl-bis(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 15861639
Dimethylbis(2,3,4,5-tetramethyl-2,4-cyclopentadien-1-yl)silane
CID 601539
CID 6389184
CID 6389184
Silane, bromobis(1,2,3,4,5-pentamethyl-2,4-cyclopentadien-1-yl)-
CID 6389189
CID 10927343
CID 10927343
CID 11050134
CID 11050134
CID 11059224
CID 11059224
CID 11071866
CID 11071866
CID 13681457
CID 13681457
CID 13980159
CID 13980159

Frequently Asked Questions

What is the IUPAC name of bromo-methyl-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane?
The IUPAC name of bromo-methyl-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane (CID 134901598) is bromo-methyl-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane.
What is the SMILES notation for bromo-methyl-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane?
The canonical SMILES for bromo-methyl-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane is CC1=C(C)C(C)([Si](C)(Br)C2(C)C(C)=C(C)C(C)=C2C)C(C)=C1C.
What is the InChIKey of bromo-methyl-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane?
The InChIKey is FXPYODJUYUZLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33BrSi/c1-12-13(2)17(6)20(9,16(12)5)23(11,22)21(10)18(7)14(3)15(4)19(21)8/h1-11H3.
What are the key properties of bromo-methyl-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane?
bromo-methyl-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 393.49 g/mol, XLogP of 7.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-methyl-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 134901598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).