dichloro-bis(2-methylcyclopenta-2,4-dien-1-yl)silane

C12H14Cl2Si — CID 139699557

IUPACdichloro-bis(2-methylcyclopenta-2,4-dien-1-yl)silane
SMILESCC1=CC=CC1[Si](Cl)(Cl)C1C=CC=C1C
InChIInChI=1S/C12H14Cl2Si/c1-9-5-3-7-11(9)15(13,14)12-8-4-6-10(12)2/h3-8,11-12H,1-2H3
InChIKeyLQKORECHSWTZJZ-UHFFFAOYSA-N
MW257.24 g/mol
LogP4.68
Rot. Bonds2

About dichloro-bis(2-methylcyclopenta-2,4-dien-1-yl)silane

dichloro-bis(2-methylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 139699557) has the molecular formula C12H14Cl2Si and a molecular weight of 257.24 g/mol. Its IUPAC name is dichloro-bis(2-methylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

Compound Namedichloro-bis(2-methylcyclopenta-2,4-dien-1-yl)silane
PubChem CID139699557
Molecular FormulaC12H14Cl2Si
Molecular Weight257.24 g/mol
Exact Mass256.02
IUPAC Namedichloro-bis(2-methylcyclopenta-2,4-dien-1-yl)silane
SMILESCC1=CC=CC1[Si](Cl)(Cl)C1C=CC=C1C
InChIInChI=1S/C12H14Cl2Si/c1-9-5-3-7-11(9)15(13,14)12-8-4-6-10(12)2/h3-8,11-12H,1-2H3
InChIKeyLQKORECHSWTZJZ-UHFFFAOYSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 54.68
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

1,5-dimethyl-4a,8a-dihydronaphthalene
CID 15555373
(2-methylcyclopenta-2,4-dien-1-yl)silane
CID 150982672
2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl-dimethyl-(2-methylcyclopenta-2,4-dien-1-yl)silane
CID 23524153
5-cyclopenta-2,4-dien-1-yl-1-methylcyclopenta-1,3-diene
CID 15153107
trimethyl-(2-trimethylsilylcyclopenta-2,4-dien-1-yl)silane
CID 11987086
2-methylbicyclo[4.1.0]hepta-2,4-diene
CID 123235064
difluorozirconium;1,5-dimethylcyclopenta-1,3-diene
CID 174427609
5-ethyl-1-methylcyclopenta-1,3-diene;zirconium
CID 174480291
bis(4-tert-butyl-2-methylcyclopenta-2,4-dien-1-yl)-dichlorosilane
CID 139699590
1,6,7-trimethylcyclohepta-1,3,5-triene
CID 123961293
(1S,2R)-1-deuterio-6-methylcyclohexa-3,5-diene-1,2-diol
CID 100921936
5-[methoxy-(2-methylcyclopenta-2,4-dien-1-yl)methyl]-1-methylcyclopenta-1,3-diene
CID 175708631

Frequently Asked Questions

What is the IUPAC name of dichloro-bis(2-methylcyclopenta-2,4-dien-1-yl)silane?
The IUPAC name of dichloro-bis(2-methylcyclopenta-2,4-dien-1-yl)silane (CID 139699557) is dichloro-bis(2-methylcyclopenta-2,4-dien-1-yl)silane.
What is the SMILES notation for dichloro-bis(2-methylcyclopenta-2,4-dien-1-yl)silane?
The canonical SMILES for dichloro-bis(2-methylcyclopenta-2,4-dien-1-yl)silane is CC1=CC=CC1[Si](Cl)(Cl)C1C=CC=C1C.
What is the InChIKey of dichloro-bis(2-methylcyclopenta-2,4-dien-1-yl)silane?
The InChIKey is LQKORECHSWTZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2Si/c1-9-5-3-7-11(9)15(13,14)12-8-4-6-10(12)2/h3-8,11-12H,1-2H3.
What are the key properties of dichloro-bis(2-methylcyclopenta-2,4-dien-1-yl)silane?
dichloro-bis(2-methylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 257.24 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-bis(2-methylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 139699557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).