dichloro-bis(3,4-dimethylcyclopenta-2,4-dien-1-yl)silane

C14H18Cl2Si — CID 139699551

IUPACdichloro-bis(3,4-dimethylcyclopenta-2,4-dien-1-yl)silane
SMILESCC1=CC([Si](Cl)(Cl)C2C=C(C)C(C)=C2)C=C1C
InChIInChI=1S/C14H18Cl2Si/c1-9-5-13(6-10(9)2)17(15,16)14-7-11(3)12(4)8-14/h5-8,13-14H,1-4H3
InChIKeyBDGQOZCRIWJATA-UHFFFAOYSA-N
MW285.29 g/mol
LogP5.46
Rot. Bonds2

About dichloro-bis(3,4-dimethylcyclopenta-2,4-dien-1-yl)silane

dichloro-bis(3,4-dimethylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 139699551) has the molecular formula C14H18Cl2Si and a molecular weight of 285.29 g/mol. Its IUPAC name is dichloro-bis(3,4-dimethylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

Compound Namedichloro-bis(3,4-dimethylcyclopenta-2,4-dien-1-yl)silane
PubChem CID139699551
Molecular FormulaC14H18Cl2Si
Molecular Weight285.29 g/mol
Exact Mass284.06
IUPAC Namedichloro-bis(3,4-dimethylcyclopenta-2,4-dien-1-yl)silane
SMILESCC1=CC([Si](Cl)(Cl)C2C=C(C)C(C)=C2)C=C1C
InChIInChI=1S/C14H18Cl2Si/c1-9-5-13(6-10(9)2)17(15,16)14-7-11(3)12(4)8-14/h5-8,13-14H,1-4H3
InChIKeyBDGQOZCRIWJATA-UHFFFAOYSA-N
XLogP5.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.29
LogP ≤ 55.46
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

bis(3,4-dimethylcyclopenta-2,4-dien-1-yl)-diethoxysilane
CID 139699566
5,6-diethyl-2,3-dimethylcyclohexa-1,3-diene
CID 142845653
bis(4-tert-butyl-2-methylcyclopenta-2,4-dien-1-yl)-dichlorosilane
CID 139699590
dichloro-bis(2-methylcyclopenta-2,4-dien-1-yl)silane
CID 139699557
ethane;propane;2,3,5,6-tetramethylcyclohexa-1,3-diene
CID 144517632
[(3,4-dimethylcyclopenta-2,4-dien-1-yl)-diphenylmethyl]benzene
CID 141345973
2,5,6-trimethyl-3a,7a-dihydro-1,3-benzothiazole
CID 90084878
1,2,4,5-tetramethyl-2H-pyridine
CID 129089431
4,5-dimethyl-2H-pyran-2-ol
CID 173017385
2,3,5,6-tetramethyl-2,3-dihydropyridine
CID 123760837
trichloro-(4-trichlorosilylcyclohexa-2,5-dien-1-yl)silane
CID 173170270
1-[(3,4-dimethylcyclopenta-2,4-dien-1-yl)-bis(3-methylphenyl)methyl]-3-methylbenzene
CID 157132628

Frequently Asked Questions

What is the IUPAC name of dichloro-bis(3,4-dimethylcyclopenta-2,4-dien-1-yl)silane?
The IUPAC name of dichloro-bis(3,4-dimethylcyclopenta-2,4-dien-1-yl)silane (CID 139699551) is dichloro-bis(3,4-dimethylcyclopenta-2,4-dien-1-yl)silane.
What is the SMILES notation for dichloro-bis(3,4-dimethylcyclopenta-2,4-dien-1-yl)silane?
The canonical SMILES for dichloro-bis(3,4-dimethylcyclopenta-2,4-dien-1-yl)silane is CC1=CC([Si](Cl)(Cl)C2C=C(C)C(C)=C2)C=C1C.
What is the InChIKey of dichloro-bis(3,4-dimethylcyclopenta-2,4-dien-1-yl)silane?
The InChIKey is BDGQOZCRIWJATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2Si/c1-9-5-13(6-10(9)2)17(15,16)14-7-11(3)12(4)8-14/h5-8,13-14H,1-4H3.
What are the key properties of dichloro-bis(3,4-dimethylcyclopenta-2,4-dien-1-yl)silane?
dichloro-bis(3,4-dimethylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 285.29 g/mol, XLogP of 5.46, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-bis(3,4-dimethylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 139699551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).