CID 21461976

C7H7Si3 — CID 21461976

IUPAC—
SMILESCc1ccc([Si]([Si])[Si])cc1
InChIInChI=1S/C7H7Si3/c1-6-2-4-7(5-3-6)10(8)9/h2-5H,1H3
InChIKeyITWDSXXCZSNTSJ-UHFFFAOYSA-N
MW175.39 g/mol
LogP0.03
Rot. Bonds1

About CID 21461976

CID 21461976 (PubChem CID 21461976) has the molecular formula C7H7Si3 and a molecular weight of 175.39 g/mol.

Molecular Properties

Compound NameCID 21461976
PubChem CID21461976
Molecular FormulaC7H7Si3
Molecular Weight175.39 g/mol
Exact Mass174.99
IUPAC Name—
SMILESCc1ccc([Si]([Si])[Si])cc1
InChIInChI=1S/C7H7Si3/c1-6-2-4-7(5-3-6)10(8)9/h2-5H,1H3
InChIKeyITWDSXXCZSNTSJ-UHFFFAOYSA-N
XLogP0.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.39
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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CID 19704458
methane;propane;1,4-xylene
CID 143560264
methane;propane;1,4-xylene
CID 160778309
aluminum toluene
CID 21283935

Frequently Asked Questions

What is the IUPAC name of CID 21461976?
The IUPAC name of CID 21461976 (CID 21461976) is not available.
What is the SMILES notation for CID 21461976?
The canonical SMILES for CID 21461976 is Cc1ccc([Si]([Si])[Si])cc1.
What is the InChIKey of CID 21461976?
The InChIKey is ITWDSXXCZSNTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Si3/c1-6-2-4-7(5-3-6)10(8)9/h2-5H,1H3.
What are the key properties of CID 21461976?
CID 21461976 has a molecular weight of 175.39 g/mol, XLogP of 0.03, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21461976 is sourced from PubChem (CID 21461976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).