dimethyl-bis(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)silane;titanium(4+);dichloride

C18H26Cl2SiTi — CID 87290353

IUPACdimethyl-bis(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)silane;titanium(4+);dichloride
SMILESCC1=[C-]C(C)C([Si](C)(C)C2=C(C)C(C)=[C-]C2C)=C1C.[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C18H26Si.2ClH.Ti/c1-11-9-13(3)17(15(11)5)19(7,8)18-14(4)10-12(2)16(18)6;;;/h13-14H,1-8H3;2*1H;/q-2;;;+4/p-2
InChIKeyRNMFKEOHTHMIKY-UHFFFAOYSA-L
MW389.27 g/mol
LogP-0.79
Rot. Bonds2

About dimethyl-bis(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)silane;titanium(4+);dichloride

dimethyl-bis(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)silane;titanium(4+);dichloride (PubChem CID 87290353) has the molecular formula C18H26Cl2SiTi and a molecular weight of 389.27 g/mol. Its IUPAC name is dimethyl-bis(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)silane;titanium(4+);dichloride.

Molecular Properties

Compound Namedimethyl-bis(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)silane;titanium(4+);dichloride
PubChem CID87290353
Molecular FormulaC18H26Cl2SiTi
Molecular Weight389.27 g/mol
Exact Mass388.07
IUPAC Namedimethyl-bis(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)silane;titanium(4+);dichloride
SMILESCC1=[C-]C(C)C([Si](C)(C)C2=C(C)C(C)=[C-]C2C)=C1C.[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C18H26Si.2ClH.Ti/c1-11-9-13(3)17(15(11)5)19(7,8)18-14(4)10-12(2)16(18)6;;;/h13-14H,1-8H3;2*1H;/q-2;;;+4/p-2
InChIKeyRNMFKEOHTHMIKY-UHFFFAOYSA-L
XLogP-0.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.27
LogP ≤ 5-0.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl-bis(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)silane;titanium(4+);dichloride?
The IUPAC name of dimethyl-bis(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)silane;titanium(4+);dichloride (CID 87290353) is dimethyl-bis(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)silane;titanium(4+);dichloride.
What is the SMILES notation for dimethyl-bis(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)silane;titanium(4+);dichloride?
The canonical SMILES for dimethyl-bis(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)silane;titanium(4+);dichloride is CC1=[C-]C(C)C([Si](C)(C)C2=C(C)C(C)=[C-]C2C)=C1C.[Cl-].[Cl-].[Ti+4].
What is the InChIKey of dimethyl-bis(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)silane;titanium(4+);dichloride?
The InChIKey is RNMFKEOHTHMIKY-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H26Si.2ClH.Ti/c1-11-9-13(3)17(15(11)5)19(7,8)18-14(4)10-12(2)16(18)6;;;/h13-14H,1-8H3;2*1H;/q-2;;;+4/p-2.
What are the key properties of dimethyl-bis(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)silane;titanium(4+);dichloride?
dimethyl-bis(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)silane;titanium(4+);dichloride has a molecular weight of 389.27 g/mol, XLogP of -0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-bis(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)silane;titanium(4+);dichloride is sourced from PubChem (CID 87290353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).