CID 173222355

C19H32Cl2HfNSi-2 — CID 173222355

IUPAC—
SMILESCC(C)c1cccc(C(C)C)c1[NH-].C[SiH]C.Cl.Cl.[C-]1=CC=CC1.[Hf]
InChIInChI=1S/C12H18N.C5H5.C2H7Si.2ClH.Hf/c1-8(2)10-6-5-7-11(9(3)4)12(10)13;1-2-4-5-3-1;1-3-2;;;/h5-9,13H,1-4H3;1-3H,4H2;3H,1-2H3;2*1H;/q2*-1;;;;
InChIKeyONISKRLENVRIIT-UHFFFAOYSA-N
MW551.95 g/mol
LogP7.28
Rot. Bonds2

About CID 173222355

CID 173222355 (PubChem CID 173222355) has the molecular formula C19H32Cl2HfNSi-2 and a molecular weight of 551.95 g/mol.

Molecular Properties

Compound NameCID 173222355
PubChem CID173222355
Molecular FormulaC19H32Cl2HfNSi-2
Molecular Weight551.95 g/mol
Exact Mass552.12
IUPAC Name—
SMILESCC(C)c1cccc(C(C)C)c1[NH-].C[SiH]C.Cl.Cl.[C-]1=CC=CC1.[Hf]
InChIInChI=1S/C12H18N.C5H5.C2H7Si.2ClH.Hf/c1-8(2)10-6-5-7-11(9(3)4)12(10)13;1-2-4-5-3-1;1-3-2;;;/h5-9,13H,1-4H3;1-3H,4H2;3H,1-2H3;2*1H;/q2*-1;;;;
InChIKeyONISKRLENVRIIT-UHFFFAOYSA-N
XLogP7.28
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.95
LogP ≤ 57.28
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 173222355?
The IUPAC name of CID 173222355 (CID 173222355) is not available.
What is the SMILES notation for CID 173222355?
The canonical SMILES for CID 173222355 is CC(C)c1cccc(C(C)C)c1[NH-].C[SiH]C.Cl.Cl.[C-]1=CC=CC1.[Hf].
What is the InChIKey of CID 173222355?
The InChIKey is ONISKRLENVRIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N.C5H5.C2H7Si.2ClH.Hf/c1-8(2)10-6-5-7-11(9(3)4)12(10)13;1-2-4-5-3-1;1-3-2;;;/h5-9,13H,1-4H3;1-3H,4H2;3H,1-2H3;2*1H;/q2*-1;;;;.
What are the key properties of CID 173222355?
CID 173222355 has a molecular weight of 551.95 g/mol, XLogP of 7.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173222355 is sourced from PubChem (CID 173222355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).