(2,3-dimethyl-1H-inden-1-yl)-dimethylsilane;penta-1,3-diene;titanium

C18H26SiTi — CID 162063708

IUPAC(2,3-dimethyl-1H-inden-1-yl)-dimethylsilane;penta-1,3-diene;titanium
SMILESC=CC=CC.CC1=C(C)C([SiH](C)C)c2ccccc21.[Ti]
InChIInChI=1S/C13H18Si.C5H8.Ti/c1-9-10(2)13(14(3)4)12-8-6-5-7-11(9)12;1-3-5-4-2;/h5-8,13-14H,1-4H3;3-5H,1H2,2H3;
InChIKeyZAEGYTILSWJXCJ-UHFFFAOYSA-N
MW318.36 g/mol
LogP5.35
Rot. Bonds2

About (2,3-dimethyl-1H-inden-1-yl)-dimethylsilane;penta-1,3-diene;titanium

(2,3-dimethyl-1H-inden-1-yl)-dimethylsilane;penta-1,3-diene;titanium (PubChem CID 162063708) has the molecular formula C18H26SiTi and a molecular weight of 318.36 g/mol. Its IUPAC name is (2,3-dimethyl-1H-inden-1-yl)-dimethylsilane;penta-1,3-diene;titanium.

Molecular Properties

Compound Name(2,3-dimethyl-1H-inden-1-yl)-dimethylsilane;penta-1,3-diene;titanium
PubChem CID162063708
Molecular FormulaC18H26SiTi
Molecular Weight318.36 g/mol
Exact Mass318.13
IUPAC Name(2,3-dimethyl-1H-inden-1-yl)-dimethylsilane;penta-1,3-diene;titanium
SMILESC=CC=CC.CC1=C(C)C([SiH](C)C)c2ccccc21.[Ti]
InChIInChI=1S/C13H18Si.C5H8.Ti/c1-9-10(2)13(14(3)4)12-8-6-5-7-11(9)12;1-3-5-4-2;/h5-8,13-14H,1-4H3;3-5H,1H2,2H3;
InChIKeyZAEGYTILSWJXCJ-UHFFFAOYSA-N
XLogP5.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.36
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,3-dimethyl-1H-inden-1-yl)-dimethylsilane;penta-1,3-diene;titanium?
The IUPAC name of (2,3-dimethyl-1H-inden-1-yl)-dimethylsilane;penta-1,3-diene;titanium (CID 162063708) is (2,3-dimethyl-1H-inden-1-yl)-dimethylsilane;penta-1,3-diene;titanium.
What is the SMILES notation for (2,3-dimethyl-1H-inden-1-yl)-dimethylsilane;penta-1,3-diene;titanium?
The canonical SMILES for (2,3-dimethyl-1H-inden-1-yl)-dimethylsilane;penta-1,3-diene;titanium is C=CC=CC.CC1=C(C)C([SiH](C)C)c2ccccc21.[Ti].
What is the InChIKey of (2,3-dimethyl-1H-inden-1-yl)-dimethylsilane;penta-1,3-diene;titanium?
The InChIKey is ZAEGYTILSWJXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Si.C5H8.Ti/c1-9-10(2)13(14(3)4)12-8-6-5-7-11(9)12;1-3-5-4-2;/h5-8,13-14H,1-4H3;3-5H,1H2,2H3;.
What are the key properties of (2,3-dimethyl-1H-inden-1-yl)-dimethylsilane;penta-1,3-diene;titanium?
(2,3-dimethyl-1H-inden-1-yl)-dimethylsilane;penta-1,3-diene;titanium has a molecular weight of 318.36 g/mol, XLogP of 5.35, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethyl-1H-inden-1-yl)-dimethylsilane;penta-1,3-diene;titanium is sourced from PubChem (CID 162063708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).