CID 173187831

C12H22Cl2NOSiTi — CID 173187831

IUPAC—
SMILESCC(C)(C)C([NH-])=O.C[SiH]C.[C-]1=CC=CC1.[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C5H11NO.C5H5.C2H7Si.2ClH.Ti/c1-5(2,3)4(6)7;1-2-4-5-3-1;1-3-2;;;/h1-3H3,(H2,6,7);1-3H,4H2;3H,1-2H3;2*1H;/q;-1;;;;+4/p-3
InChIKeyCDSQFWSNPAMHGO-UHFFFAOYSA-K
MW343.17 g/mol
LogP-2.56
Rot. Bonds

About CID 173187831

CID 173187831 (PubChem CID 173187831) has the molecular formula C12H22Cl2NOSiTi and a molecular weight of 343.17 g/mol.

Molecular Properties

Compound NameCID 173187831
PubChem CID173187831
Molecular FormulaC12H22Cl2NOSiTi
Molecular Weight343.17 g/mol
Exact Mass342.03
IUPAC Name—
SMILESCC(C)(C)C([NH-])=O.C[SiH]C.[C-]1=CC=CC1.[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C5H11NO.C5H5.C2H7Si.2ClH.Ti/c1-5(2,3)4(6)7;1-2-4-5-3-1;1-3-2;;;/h1-3H3,(H2,6,7);1-3H,4H2;3H,1-2H3;2*1H;/q;-1;;;;+4/p-3
InChIKeyCDSQFWSNPAMHGO-UHFFFAOYSA-K
XLogP-2.56
TPSA40.87 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.17
LogP ≤ 5-2.56
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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Related Compounds

Cyclopenta-1,3-diene;2-dimethylsilylidenepropanamide;titanium(3+);dichloride
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Cyclopenta-1,3-diene;2-dimethylsilylideneacetamide;titanium(3+);dichloride
CID 18690470
[3-[Cyclopenta-1,3-dien-1-yl(dimethyl)silyl]-2-methylpropanoyl]azanide;titanium(4+);dichloride
CID 22467760
CID 173187585
CID 173187585
CID 173187605
CID 173187605
CID 173187658
CID 173187658
CID 173187716
CID 173187716
CID 173187765
CID 173187765
CID 173187836
CID 173187836
CID 173187892
CID 173187892
CID 173188042
CID 173188042
CID 173188075
CID 173188075

Frequently Asked Questions

What is the IUPAC name of CID 173187831?
The IUPAC name of CID 173187831 (CID 173187831) is not available.
What is the SMILES notation for CID 173187831?
The canonical SMILES for CID 173187831 is CC(C)(C)C([NH-])=O.C[SiH]C.[C-]1=CC=CC1.[Cl-].[Cl-].[Ti+4].
What is the InChIKey of CID 173187831?
The InChIKey is CDSQFWSNPAMHGO-UHFFFAOYSA-K. The full InChI is InChI=1S/C5H11NO.C5H5.C2H7Si.2ClH.Ti/c1-5(2,3)4(6)7;1-2-4-5-3-1;1-3-2;;;/h1-3H3,(H2,6,7);1-3H,4H2;3H,1-2H3;2*1H;/q;-1;;;;+4/p-3.
What are the key properties of CID 173187831?
CID 173187831 has a molecular weight of 343.17 g/mol, XLogP of -2.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173187831 is sourced from PubChem (CID 173187831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).