CID 173187912

C13H24Cl2HfNOSi — CID 173187912

IUPAC—
SMILESCCCCCC([NH-])=O.C[SiH]C.[C-]1=CC=CC1.[Cl-].[Cl-].[Hf+4]
InChIInChI=1S/C6H13NO.C5H5.C2H7Si.2ClH.Hf/c1-2-3-4-5-6(7)8;1-2-4-5-3-1;1-3-2;;;/h2-5H2,1H3,(H2,7,8);1-3H,4H2;3H,1-2H3;2*1H;/q;-1;;;;+4/p-3
InChIKeyXJSAHJTXRUDQAX-UHFFFAOYSA-K
MW487.82 g/mol
LogP-2.02
Rot. Bonds4

About CID 173187912

CID 173187912 (PubChem CID 173187912) has the molecular formula C13H24Cl2HfNOSi and a molecular weight of 487.82 g/mol.

Molecular Properties

Compound NameCID 173187912
PubChem CID173187912
Molecular FormulaC13H24Cl2HfNOSi
Molecular Weight487.82 g/mol
Exact Mass488.05
IUPAC Name—
SMILESCCCCCC([NH-])=O.C[SiH]C.[C-]1=CC=CC1.[Cl-].[Cl-].[Hf+4]
InChIInChI=1S/C6H13NO.C5H5.C2H7Si.2ClH.Hf/c1-2-3-4-5-6(7)8;1-2-4-5-3-1;1-3-2;;;/h2-5H2,1H3,(H2,7,8);1-3H,4H2;3H,1-2H3;2*1H;/q;-1;;;;+4/p-3
InChIKeyXJSAHJTXRUDQAX-UHFFFAOYSA-K
XLogP-2.02
TPSA40.87 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.82
LogP ≤ 5-2.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 173187912?
The IUPAC name of CID 173187912 (CID 173187912) is not available.
What is the SMILES notation for CID 173187912?
The canonical SMILES for CID 173187912 is CCCCCC([NH-])=O.C[SiH]C.[C-]1=CC=CC1.[Cl-].[Cl-].[Hf+4].
What is the InChIKey of CID 173187912?
The InChIKey is XJSAHJTXRUDQAX-UHFFFAOYSA-K. The full InChI is InChI=1S/C6H13NO.C5H5.C2H7Si.2ClH.Hf/c1-2-3-4-5-6(7)8;1-2-4-5-3-1;1-3-2;;;/h2-5H2,1H3,(H2,7,8);1-3H,4H2;3H,1-2H3;2*1H;/q;-1;;;;+4/p-3.
What are the key properties of CID 173187912?
CID 173187912 has a molecular weight of 487.82 g/mol, XLogP of -2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173187912 is sourced from PubChem (CID 173187912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).