CID 173180096

C23H44NSiTi — CID 173180096

IUPAC—
SMILESCC1=[C-]C(C)C(C)=C1C.C[SiH]C.[NH-]C1CCCCCCCCCCC1.[Ti+2]
InChIInChI=1S/C12H24N.C9H13.C2H7Si.Ti/c13-12-10-8-6-4-2-1-3-5-7-9-11-12;1-6-5-7(2)9(4)8(6)3;1-3-2;/h12-13H,1-11H2;6H,1-4H3;3H,1-2H3;/q2*-1;;+2
InChIKeyDKCZLZKUOWDTAR-UHFFFAOYSA-N
MW410.57 g/mol
LogP7.95
Rot. Bonds

About CID 173180096

CID 173180096 (PubChem CID 173180096) has the molecular formula C23H44NSiTi and a molecular weight of 410.57 g/mol.

Molecular Properties

Compound NameCID 173180096
PubChem CID173180096
Molecular FormulaC23H44NSiTi
Molecular Weight410.57 g/mol
Exact Mass410.27
IUPAC Name—
SMILESCC1=[C-]C(C)C(C)=C1C.C[SiH]C.[NH-]C1CCCCCCCCCCC1.[Ti+2]
InChIInChI=1S/C12H24N.C9H13.C2H7Si.Ti/c13-12-10-8-6-4-2-1-3-5-7-9-11-12;1-6-5-7(2)9(4)8(6)3;1-3-2;/h12-13H,1-11H2;6H,1-4H3;3H,1-2H3;/q2*-1;;+2
InChIKeyDKCZLZKUOWDTAR-UHFFFAOYSA-N
XLogP7.95
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.57
LogP ≤ 57.95
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 173180096?
The IUPAC name of CID 173180096 (CID 173180096) is not available.
What is the SMILES notation for CID 173180096?
The canonical SMILES for CID 173180096 is CC1=[C-]C(C)C(C)=C1C.C[SiH]C.[NH-]C1CCCCCCCCCCC1.[Ti+2].
What is the InChIKey of CID 173180096?
The InChIKey is DKCZLZKUOWDTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N.C9H13.C2H7Si.Ti/c13-12-10-8-6-4-2-1-3-5-7-9-11-12;1-6-5-7(2)9(4)8(6)3;1-3-2;/h12-13H,1-11H2;6H,1-4H3;3H,1-2H3;/q2*-1;;+2.
What are the key properties of CID 173180096?
CID 173180096 has a molecular weight of 410.57 g/mol, XLogP of 7.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173180096 is sourced from PubChem (CID 173180096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).