CID 158394862

C14H21Br2HfSi — CID 158394862

IUPAC—
SMILESC[SiH]C.C[c-]1cccc1.C[c-]1cccc1.[Br-].[Br-].[Hf+4]
InChIInChI=1S/2C6H7.C2H7Si.2BrH.Hf/c2*1-6-4-2-3-5-6;1-3-2;;;/h2*2-5H,1H3;3H,1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyMNVRLVXMFBNIBP-UHFFFAOYSA-L
MW555.71 g/mol
LogP-2.05
Rot. Bonds

About CID 158394862

CID 158394862 (PubChem CID 158394862) has the molecular formula C14H21Br2HfSi and a molecular weight of 555.71 g/mol.

Molecular Properties

Compound NameCID 158394862
PubChem CID158394862
Molecular FormulaC14H21Br2HfSi
Molecular Weight555.71 g/mol
Exact Mass554.92
IUPAC Name—
SMILESC[SiH]C.C[c-]1cccc1.C[c-]1cccc1.[Br-].[Br-].[Hf+4]
InChIInChI=1S/2C6H7.C2H7Si.2BrH.Hf/c2*1-6-4-2-3-5-6;1-3-2;;;/h2*2-5H,1H3;3H,1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyMNVRLVXMFBNIBP-UHFFFAOYSA-L
XLogP-2.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.71
LogP ≤ 5-2.05
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 158394862?
The IUPAC name of CID 158394862 (CID 158394862) is not available.
What is the SMILES notation for CID 158394862?
The canonical SMILES for CID 158394862 is C[SiH]C.C[c-]1cccc1.C[c-]1cccc1.[Br-].[Br-].[Hf+4].
What is the InChIKey of CID 158394862?
The InChIKey is MNVRLVXMFBNIBP-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H7.C2H7Si.2BrH.Hf/c2*1-6-4-2-3-5-6;1-3-2;;;/h2*2-5H,1H3;3H,1-2H3;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 158394862?
CID 158394862 has a molecular weight of 555.71 g/mol, XLogP of -2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158394862 is sourced from PubChem (CID 158394862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).