CID 19935339

C4H9Cl2OSi — CID 19935339

IUPAC—
SMILESCOCCC[Si](Cl)Cl
InChIInChI=1S/C4H9Cl2OSi/c1-7-3-2-4-8(5)6/h2-4H2,1H3
InChIKeyBZXDCBKJVAXOHG-UHFFFAOYSA-N
MW172.11 g/mol
LogP1.99
Rot. Bonds4

About CID 19935339

CID 19935339 (PubChem CID 19935339) has the molecular formula C4H9Cl2OSi and a molecular weight of 172.11 g/mol.

Molecular Properties

Compound NameCID 19935339
PubChem CID19935339
Molecular FormulaC4H9Cl2OSi
Molecular Weight172.11 g/mol
Exact Mass170.98
IUPAC Name—
SMILESCOCCC[Si](Cl)Cl
InChIInChI=1S/C4H9Cl2OSi/c1-7-3-2-4-8(5)6/h2-4H2,1H3
InChIKeyBZXDCBKJVAXOHG-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 19935339?
The IUPAC name of CID 19935339 (CID 19935339) is not available.
What is the SMILES notation for CID 19935339?
The canonical SMILES for CID 19935339 is COCCC[Si](Cl)Cl.
What is the InChIKey of CID 19935339?
The InChIKey is BZXDCBKJVAXOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9Cl2OSi/c1-7-3-2-4-8(5)6/h2-4H2,1H3.
What are the key properties of CID 19935339?
CID 19935339 has a molecular weight of 172.11 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19935339 is sourced from PubChem (CID 19935339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).