CID 22507817

C16H24Cl2OSiZr — CID 22507817

IUPAC—
SMILESC[Si](C)O.Cc1cc2c(C(C)(C)C)cccc2[cH-]1.[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C14H17.C2H7OSi.2ClH.Zr/c1-10-8-11-6-5-7-13(12(11)9-10)14(2,3)4;1-4(2)3;;;/h5-9H,1-4H3;3H,1-2H3;2*1H;/q-1;;;;+3/p-2
InChIKeyNJWOYPOKYVAOKU-UHFFFAOYSA-L
MW422.58 g/mol
LogP-1.60
Rot. Bonds

About CID 22507817

CID 22507817 (PubChem CID 22507817) has the molecular formula C16H24Cl2OSiZr and a molecular weight of 422.58 g/mol.

Molecular Properties

Compound NameCID 22507817
PubChem CID22507817
Molecular FormulaC16H24Cl2OSiZr
Molecular Weight422.58 g/mol
Exact Mass420.00
IUPAC Name—
SMILESC[Si](C)O.Cc1cc2c(C(C)(C)C)cccc2[cH-]1.[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C14H17.C2H7OSi.2ClH.Zr/c1-10-8-11-6-5-7-13(12(11)9-10)14(2,3)4;1-4(2)3;;;/h5-9H,1-4H3;3H,1-2H3;2*1H;/q-1;;;;+3/p-2
InChIKeyNJWOYPOKYVAOKU-UHFFFAOYSA-L
XLogP-1.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.58
LogP ≤ 5-1.60
H-Bond Donors ≤ 51
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 22507817?
The IUPAC name of CID 22507817 (CID 22507817) is not available.
What is the SMILES notation for CID 22507817?
The canonical SMILES for CID 22507817 is C[Si](C)O.Cc1cc2c(C(C)(C)C)cccc2[cH-]1.[Cl-].[Cl-].[Zr+3].
What is the InChIKey of CID 22507817?
The InChIKey is NJWOYPOKYVAOKU-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H17.C2H7OSi.2ClH.Zr/c1-10-8-11-6-5-7-13(12(11)9-10)14(2,3)4;1-4(2)3;;;/h5-9H,1-4H3;3H,1-2H3;2*1H;/q-1;;;;+3/p-2.
What are the key properties of CID 22507817?
CID 22507817 has a molecular weight of 422.58 g/mol, XLogP of -1.60, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22507817 is sourced from PubChem (CID 22507817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).