CID 134902653

C21H24SiTi — CID 134902653

IUPAC—
SMILESC[Si](C)(C)/[C]=[C]/c1ccccc1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Ti]
InChIInChI=1S/C11H14Si.2C5H5.Ti/c1-12(2,3)10-9-11-7-5-4-6-8-11;2*1-2-4-5-3-1;/h4-8H,1-3H3;2*1-5H;
InChIKeyKXJPKAWNLQLNEO-UHFFFAOYSA-N
MW352.38 g/mol
LogP5.12
Rot. Bonds2

About CID 134902653

CID 134902653 (PubChem CID 134902653) has the molecular formula C21H24SiTi and a molecular weight of 352.38 g/mol.

Molecular Properties

Compound NameCID 134902653
PubChem CID134902653
Molecular FormulaC21H24SiTi
Molecular Weight352.38 g/mol
Exact Mass352.11
IUPAC Name—
SMILESC[Si](C)(C)/[C]=[C]/c1ccccc1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Ti]
InChIInChI=1S/C11H14Si.2C5H5.Ti/c1-12(2,3)10-9-11-7-5-4-6-8-11;2*1-2-4-5-3-1;/h4-8H,1-3H3;2*1-5H;
InChIKeyKXJPKAWNLQLNEO-UHFFFAOYSA-N
XLogP5.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.38
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 134902653?
The IUPAC name of CID 134902653 (CID 134902653) is not available.
What is the SMILES notation for CID 134902653?
The canonical SMILES for CID 134902653 is C[Si](C)(C)/[C]=[C]/c1ccccc1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Ti].
What is the InChIKey of CID 134902653?
The InChIKey is KXJPKAWNLQLNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Si.2C5H5.Ti/c1-12(2,3)10-9-11-7-5-4-6-8-11;2*1-2-4-5-3-1;/h4-8H,1-3H3;2*1-5H;.
What are the key properties of CID 134902653?
CID 134902653 has a molecular weight of 352.38 g/mol, XLogP of 5.12, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134902653 is sourced from PubChem (CID 134902653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).