CID 88604030

C4H9Cl2OSi — CID 88604030

IUPAC—
SMILESC[Si](C)OCC(Cl)Cl
InChIInChI=1S/C4H9Cl2OSi/c1-8(2)7-3-4(5)6/h4H,3H2,1-2H3
InChIKeyAEZBNJBZKQAFFP-UHFFFAOYSA-N
MW172.11 g/mol
LogP2.06
Rot. Bonds3

About CID 88604030

CID 88604030 (PubChem CID 88604030) has the molecular formula C4H9Cl2OSi and a molecular weight of 172.11 g/mol.

Molecular Properties

Compound NameCID 88604030
PubChem CID88604030
Molecular FormulaC4H9Cl2OSi
Molecular Weight172.11 g/mol
Exact Mass170.98
IUPAC Name—
SMILESC[Si](C)OCC(Cl)Cl
InChIInChI=1S/C4H9Cl2OSi/c1-8(2)7-3-4(5)6/h4H,3H2,1-2H3
InChIKeyAEZBNJBZKQAFFP-UHFFFAOYSA-N
XLogP2.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.11
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 88604030?
The IUPAC name of CID 88604030 (CID 88604030) is not available.
What is the SMILES notation for CID 88604030?
The canonical SMILES for CID 88604030 is C[Si](C)OCC(Cl)Cl.
What is the InChIKey of CID 88604030?
The InChIKey is AEZBNJBZKQAFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9Cl2OSi/c1-8(2)7-3-4(5)6/h4H,3H2,1-2H3.
What are the key properties of CID 88604030?
CID 88604030 has a molecular weight of 172.11 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88604030 is sourced from PubChem (CID 88604030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).