CID 173187649

C15H26Cl2HfNOSi — CID 173187649

IUPAC—
SMILESCC1=CC[C-]=C1.C[SiH]C.[Cl-].[Cl-].[Hf+4].[NH-]C(=O)C1CCCCC1
InChIInChI=1S/C7H13NO.C6H7.C2H7Si.2ClH.Hf/c8-7(9)6-4-2-1-3-5-6;1-6-4-2-3-5-6;1-3-2;;;/h6H,1-5H2,(H2,8,9);4-5H,2H2,1H3;3H,1-2H3;2*1H;/q;-1;;;;+4/p-3
InChIKeyQNYAFFCFWSUMHQ-UHFFFAOYSA-K
MW513.86 g/mol
LogP-1.63
Rot. Bonds1

About CID 173187649

CID 173187649 (PubChem CID 173187649) has the molecular formula C15H26Cl2HfNOSi and a molecular weight of 513.86 g/mol.

Molecular Properties

Compound NameCID 173187649
PubChem CID173187649
Molecular FormulaC15H26Cl2HfNOSi
Molecular Weight513.86 g/mol
Exact Mass514.06
IUPAC Name—
SMILESCC1=CC[C-]=C1.C[SiH]C.[Cl-].[Cl-].[Hf+4].[NH-]C(=O)C1CCCCC1
InChIInChI=1S/C7H13NO.C6H7.C2H7Si.2ClH.Hf/c8-7(9)6-4-2-1-3-5-6;1-6-4-2-3-5-6;1-3-2;;;/h6H,1-5H2,(H2,8,9);4-5H,2H2,1H3;3H,1-2H3;2*1H;/q;-1;;;;+4/p-3
InChIKeyQNYAFFCFWSUMHQ-UHFFFAOYSA-K
XLogP-1.63
TPSA40.87 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.86
LogP ≤ 5-1.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 173187649?
The IUPAC name of CID 173187649 (CID 173187649) is not available.
What is the SMILES notation for CID 173187649?
The canonical SMILES for CID 173187649 is CC1=CC[C-]=C1.C[SiH]C.[Cl-].[Cl-].[Hf+4].[NH-]C(=O)C1CCCCC1.
What is the InChIKey of CID 173187649?
The InChIKey is QNYAFFCFWSUMHQ-UHFFFAOYSA-K. The full InChI is InChI=1S/C7H13NO.C6H7.C2H7Si.2ClH.Hf/c8-7(9)6-4-2-1-3-5-6;1-6-4-2-3-5-6;1-3-2;;;/h6H,1-5H2,(H2,8,9);4-5H,2H2,1H3;3H,1-2H3;2*1H;/q;-1;;;;+4/p-3.
What are the key properties of CID 173187649?
CID 173187649 has a molecular weight of 513.86 g/mol, XLogP of -1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173187649 is sourced from PubChem (CID 173187649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).