CID 173211836

C19H36Cl2NSiTi — CID 173211836

IUPAC—
SMILESCC1=[C-]C(C)C(C)=C1C.CC[SiH]CC.[Cl-].[Cl-].[NH-]C1CCCCC1.[Ti+4]
InChIInChI=1S/C9H13.C6H12N.C4H11Si.2ClH.Ti/c1-6-5-7(2)9(4)8(6)3;7-6-4-2-1-3-5-6;1-3-5-4-2;;;/h6H,1-4H3;6-7H,1-5H2;5H,3-4H2,1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyYPUCUDHXFFGKQW-UHFFFAOYSA-L
MW425.36 g/mol
LogP0.40
Rot. Bonds2

About CID 173211836

CID 173211836 (PubChem CID 173211836) has the molecular formula C19H36Cl2NSiTi and a molecular weight of 425.36 g/mol.

Molecular Properties

Compound NameCID 173211836
PubChem CID173211836
Molecular FormulaC19H36Cl2NSiTi
Molecular Weight425.36 g/mol
Exact Mass424.15
IUPAC Name—
SMILESCC1=[C-]C(C)C(C)=C1C.CC[SiH]CC.[Cl-].[Cl-].[NH-]C1CCCCC1.[Ti+4]
InChIInChI=1S/C9H13.C6H12N.C4H11Si.2ClH.Ti/c1-6-5-7(2)9(4)8(6)3;7-6-4-2-1-3-5-6;1-3-5-4-2;;;/h6H,1-4H3;6-7H,1-5H2;5H,3-4H2,1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyYPUCUDHXFFGKQW-UHFFFAOYSA-L
XLogP0.40
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.36
LogP ≤ 50.40
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'}

Analyze CID 173211836 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 173180096
CID 173180096
CID 173180083
CID 173180083
CID 173198594
CID 173198594
CID 173269010
CID 173269010
CID 173001398
CID 173001398
CID 173020378
CID 173020378
bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);zirconium(2+)
CID 18431322
neodymium(3+);tris(1,2,3,5-tetramethylcyclopenta-1,3-diene)
CID 74765419
cobalt(3+);tris(1,2,3,5-tetramethylcyclopenta-1,3-diene)
CID 173069398
CID 173269353
CID 173269353
1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium;dihydrofluoride
CID 174493495
CID 175042659
CID 175042659

Frequently Asked Questions

What is the IUPAC name of CID 173211836?
The IUPAC name of CID 173211836 (CID 173211836) is not available.
What is the SMILES notation for CID 173211836?
The canonical SMILES for CID 173211836 is CC1=[C-]C(C)C(C)=C1C.CC[SiH]CC.[Cl-].[Cl-].[NH-]C1CCCCC1.[Ti+4].
What is the InChIKey of CID 173211836?
The InChIKey is YPUCUDHXFFGKQW-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H13.C6H12N.C4H11Si.2ClH.Ti/c1-6-5-7(2)9(4)8(6)3;7-6-4-2-1-3-5-6;1-3-5-4-2;;;/h6H,1-4H3;6-7H,1-5H2;5H,3-4H2,1-2H3;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 173211836?
CID 173211836 has a molecular weight of 425.36 g/mol, XLogP of 0.40, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173211836 is sourced from PubChem (CID 173211836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).