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

C21H33ISi — CID 134901599

IUPACiodo-methyl-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane
SMILESCC1=C(C)C(C)([Si](C)(I)C2(C)C(C)=C(C)C(C)=C2C)C(C)=C1C
InChIInChI=1S/C21H33ISi/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
InChIKeyFMCWRUILCQBDMC-UHFFFAOYSA-N
MW440.49 g/mol
LogP7.89
Rot. Bonds2

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

iodo-methyl-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 134901599) has the molecular formula C21H33ISi and a molecular weight of 440.49 g/mol. Its IUPAC name is iodo-methyl-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

Compound Nameiodo-methyl-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane
PubChem CID134901599
Molecular FormulaC21H33ISi
Molecular Weight440.49 g/mol
Exact Mass440.14
IUPAC Nameiodo-methyl-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane
SMILESCC1=C(C)C(C)([Si](C)(I)C2(C)C(C)=C(C)C(C)=C2C)C(C)=C1C
InChIInChI=1S/C21H33ISi/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
InChIKeyFMCWRUILCQBDMC-UHFFFAOYSA-N
XLogP7.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.49
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze iodo-methyl-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,3,4,5,6,7,7-octamethylcyclohepta-1,3,5-triene
CID 160680879
trimethyl-(2,3,4,5,6-pentamethylcyclopenta[b]thiophen-6-yl)silane
CID 142613456
5-[[bis(trimethylsilyl)amino]-chloroarsanyl]-1,2,3,4,5-pentamethylcyclopenta-1,3-diene
CID 139036734
chloro-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)arsane
CID 12055755
CID 15769249
CID 15769249
CID 91217685
CID 91217685
1,2,3,3,4,4-hexamethylcyclobutene
CID 21059265
iridium;2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)acetic acid
CID 175362501
(2R,3S)-2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-3-propyloxaphosphirane
CID 139156126
5-(chloromethyl)-1,2,3,4,5-pentamethylcyclopenta-1,3-diene;silane
CID 158501009
1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;ruthenium
CID 87244974
1,2,3,5,5-pentamethyl-4-[(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)methyl]cyclopenta-1,3-diene
CID 18941814

Frequently Asked Questions

What is the IUPAC name of iodo-methyl-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane?
The IUPAC name of iodo-methyl-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane (CID 134901599) is iodo-methyl-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane.
What is the SMILES notation for iodo-methyl-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane?
The canonical SMILES for iodo-methyl-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane is CC1=C(C)C(C)([Si](C)(I)C2(C)C(C)=C(C)C(C)=C2C)C(C)=C1C.
What is the InChIKey of iodo-methyl-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane?
The InChIKey is FMCWRUILCQBDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33ISi/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 iodo-methyl-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane?
iodo-methyl-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 440.49 g/mol, XLogP of 7.89, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iodo-methyl-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 134901599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).