CID 173187901

C12H22Cl2HfNOSi — CID 173187901

IUPAC—
SMILESCC1=CC[C-]=C1.CCCC([NH-])=O.C[SiH]C.[Cl-].[Cl-].[Hf+4]
InChIInChI=1S/C6H7.C4H9NO.C2H7Si.2ClH.Hf/c1-6-4-2-3-5-6;1-2-3-4(5)6;1-3-2;;;/h4-5H,2H2,1H3;2-3H2,1H3,(H2,5,6);3H,1-2H3;2*1H;/q-1;;;;;+4/p-3
InChIKeyAXDBZIIFGLZQOR-UHFFFAOYSA-K
MW473.80 g/mol
LogP-2.41
Rot. Bonds2

About CID 173187901

CID 173187901 (PubChem CID 173187901) has the molecular formula C12H22Cl2HfNOSi and a molecular weight of 473.80 g/mol.

Molecular Properties

Compound NameCID 173187901
PubChem CID173187901
Molecular FormulaC12H22Cl2HfNOSi
Molecular Weight473.80 g/mol
Exact Mass474.03
IUPAC Name—
SMILESCC1=CC[C-]=C1.CCCC([NH-])=O.C[SiH]C.[Cl-].[Cl-].[Hf+4]
InChIInChI=1S/C6H7.C4H9NO.C2H7Si.2ClH.Hf/c1-6-4-2-3-5-6;1-2-3-4(5)6;1-3-2;;;/h4-5H,2H2,1H3;2-3H2,1H3,(H2,5,6);3H,1-2H3;2*1H;/q-1;;;;;+4/p-3
InChIKeyAXDBZIIFGLZQOR-UHFFFAOYSA-K
XLogP-2.41
TPSA40.87 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.80
LogP ≤ 5-2.41
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 173187901?
The IUPAC name of CID 173187901 (CID 173187901) is not available.
What is the SMILES notation for CID 173187901?
The canonical SMILES for CID 173187901 is CC1=CC[C-]=C1.CCCC([NH-])=O.C[SiH]C.[Cl-].[Cl-].[Hf+4].
What is the InChIKey of CID 173187901?
The InChIKey is AXDBZIIFGLZQOR-UHFFFAOYSA-K. The full InChI is InChI=1S/C6H7.C4H9NO.C2H7Si.2ClH.Hf/c1-6-4-2-3-5-6;1-2-3-4(5)6;1-3-2;;;/h4-5H,2H2,1H3;2-3H2,1H3,(H2,5,6);3H,1-2H3;2*1H;/q-1;;;;;+4/p-3.
What are the key properties of CID 173187901?
CID 173187901 has a molecular weight of 473.80 g/mol, XLogP of -2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173187901 is sourced from PubChem (CID 173187901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).