CID 134980949

C17H33NSiTi — CID 134980949

IUPAC—
SMILESC[C]1C(C)=C(C)C(C)=C1[Si](C)(C)[N-]C(C)(C)C.[CH3-].[CH3-].[Ti+3]
InChIInChI=1S/C15H27NSi.2CH3.Ti/c1-10-11(2)13(4)14(12(10)3)17(8,9)16-15(5,6)7;;;/h1-9H3;2*1H3;/q3*-1;+3
InChIKeyZBLUFJRPICDUDN-UHFFFAOYSA-N
MW327.41 g/mol
LogP6.06
Rot. Bonds2

About CID 134980949

CID 134980949 (PubChem CID 134980949) has the molecular formula C17H33NSiTi and a molecular weight of 327.41 g/mol.

Molecular Properties

Compound NameCID 134980949
PubChem CID134980949
Molecular FormulaC17H33NSiTi
Molecular Weight327.41 g/mol
Exact Mass327.19
IUPAC Name—
SMILESC[C]1C(C)=C(C)C(C)=C1[Si](C)(C)[N-]C(C)(C)C.[CH3-].[CH3-].[Ti+3]
InChIInChI=1S/C15H27NSi.2CH3.Ti/c1-10-11(2)13(4)14(12(10)3)17(8,9)16-15(5,6)7;;;/h1-9H3;2*1H3;/q3*-1;+3
InChIKeyZBLUFJRPICDUDN-UHFFFAOYSA-N
XLogP6.06
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.41
LogP ≤ 56.06
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 CID 134980949?
The IUPAC name of CID 134980949 (CID 134980949) is not available.
What is the SMILES notation for CID 134980949?
The canonical SMILES for CID 134980949 is C[C]1C(C)=C(C)C(C)=C1[Si](C)(C)[N-]C(C)(C)C.[CH3-].[CH3-].[Ti+3].
What is the InChIKey of CID 134980949?
The InChIKey is ZBLUFJRPICDUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NSi.2CH3.Ti/c1-10-11(2)13(4)14(12(10)3)17(8,9)16-15(5,6)7;;;/h1-9H3;2*1H3;/q3*-1;+3.
What are the key properties of CID 134980949?
CID 134980949 has a molecular weight of 327.41 g/mol, XLogP of 6.06, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134980949 is sourced from PubChem (CID 134980949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).