CID 53400515

C4H7ClSi — CID 53400515

IUPAC—
SMILESCC(C)=C[Si]Cl
InChIInChI=1S/C4H7ClSi/c1-4(2)3-6-5/h3H,1-2H3
InChIKeyYMJVDONLTRKIKH-UHFFFAOYSA-N
MW118.64 g/mol
LogP1.77
Rot. Bonds1

About CID 53400515

CID 53400515 (PubChem CID 53400515) has the molecular formula C4H7ClSi and a molecular weight of 118.64 g/mol.

Molecular Properties

Compound NameCID 53400515
PubChem CID53400515
Molecular FormulaC4H7ClSi
Molecular Weight118.64 g/mol
Exact Mass118.00
IUPAC Name—
SMILESCC(C)=C[Si]Cl
InChIInChI=1S/C4H7ClSi/c1-4(2)3-6-5/h3H,1-2H3
InChIKeyYMJVDONLTRKIKH-UHFFFAOYSA-N
XLogP1.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.64
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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 53400515?
The IUPAC name of CID 53400515 (CID 53400515) is not available.
What is the SMILES notation for CID 53400515?
The canonical SMILES for CID 53400515 is CC(C)=C[Si]Cl.
What is the InChIKey of CID 53400515?
The InChIKey is YMJVDONLTRKIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClSi/c1-4(2)3-6-5/h3H,1-2H3.
What are the key properties of CID 53400515?
CID 53400515 has a molecular weight of 118.64 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 53400515 is sourced from PubChem (CID 53400515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).