CID 173257626

C20H27ClO2SiV- — CID 173257626

IUPAC—
SMILESC[Si](C)C.Cl.Oc1ccccc1.Oc1ccccc1.[C-]1=CC=CC1.[V]
InChIInChI=1S/2C6H6O.C5H5.C3H9Si.ClH.V/c2*7-6-4-2-1-3-5-6;1-2-4-5-3-1;1-4(2)3;;/h2*1-5,7H;1-3H,4H2;1-3H3;1H;/q;;-1;;;
InChIKeyMLIOZBLVPRJSBU-UHFFFAOYSA-N
MW413.92 g/mol
LogP5.88
Rot. Bonds

About CID 173257626

CID 173257626 (PubChem CID 173257626) has the molecular formula C20H27ClO2SiV- and a molecular weight of 413.92 g/mol.

Molecular Properties

Compound NameCID 173257626
PubChem CID173257626
Molecular FormulaC20H27ClO2SiV-
Molecular Weight413.92 g/mol
Exact Mass413.09
IUPAC Name—
SMILESC[Si](C)C.Cl.Oc1ccccc1.Oc1ccccc1.[C-]1=CC=CC1.[V]
InChIInChI=1S/2C6H6O.C5H5.C3H9Si.ClH.V/c2*7-6-4-2-1-3-5-6;1-2-4-5-3-1;1-4(2)3;;/h2*1-5,7H;1-3H,4H2;1-3H3;1H;/q;;-1;;;
InChIKeyMLIOZBLVPRJSBU-UHFFFAOYSA-N
XLogP5.88
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.92
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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Frequently Asked Questions

What is the IUPAC name of CID 173257626?
The IUPAC name of CID 173257626 (CID 173257626) is not available.
What is the SMILES notation for CID 173257626?
The canonical SMILES for CID 173257626 is C[Si](C)C.Cl.Oc1ccccc1.Oc1ccccc1.[C-]1=CC=CC1.[V].
What is the InChIKey of CID 173257626?
The InChIKey is MLIOZBLVPRJSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H6O.C5H5.C3H9Si.ClH.V/c2*7-6-4-2-1-3-5-6;1-2-4-5-3-1;1-4(2)3;;/h2*1-5,7H;1-3H,4H2;1-3H3;1H;/q;;-1;;;.
What are the key properties of CID 173257626?
CID 173257626 has a molecular weight of 413.92 g/mol, XLogP of 5.88, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173257626 is sourced from PubChem (CID 173257626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).