CID 123430545

C4H9Cl2OSi — CID 123430545

IUPAC—
SMILESCCO[Si](CCl)CCl
InChIInChI=1S/C4H9Cl2OSi/c1-2-7-8(3-5)4-6/h2-4H2,1H3
InChIKeyFUGGJQOCACLLCC-UHFFFAOYSA-N
MW172.11 g/mol
LogP1.57
Rot. Bonds4

About CID 123430545

CID 123430545 (PubChem CID 123430545) has the molecular formula C4H9Cl2OSi and a molecular weight of 172.11 g/mol.

Molecular Properties

Compound NameCID 123430545
PubChem CID123430545
Molecular FormulaC4H9Cl2OSi
Molecular Weight172.11 g/mol
Exact Mass170.98
IUPAC Name—
SMILESCCO[Si](CCl)CCl
InChIInChI=1S/C4H9Cl2OSi/c1-2-7-8(3-5)4-6/h2-4H2,1H3
InChIKeyFUGGJQOCACLLCC-UHFFFAOYSA-N
XLogP1.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.11
LogP ≤ 51.57
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 123430545?
The IUPAC name of CID 123430545 (CID 123430545) is not available.
What is the SMILES notation for CID 123430545?
The canonical SMILES for CID 123430545 is CCO[Si](CCl)CCl.
What is the InChIKey of CID 123430545?
The InChIKey is FUGGJQOCACLLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9Cl2OSi/c1-2-7-8(3-5)4-6/h2-4H2,1H3.
What are the key properties of CID 123430545?
CID 123430545 has a molecular weight of 172.11 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123430545 is sourced from PubChem (CID 123430545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).