CID 21116316

C5H8Cl2O2Si — CID 21116316

IUPAC—
SMILESCOC(=O)CC[Si]C(Cl)Cl
InChIInChI=1S/C5H8Cl2O2Si/c1-9-4(8)2-3-10-5(6)7/h5H,2-3H2,1H3
InChIKeyAYFAJIIXVKSYOU-UHFFFAOYSA-N
MW199.11 g/mol
LogP1.43
Rot. Bonds4

About CID 21116316

CID 21116316 (PubChem CID 21116316) has the molecular formula C5H8Cl2O2Si and a molecular weight of 199.11 g/mol.

Molecular Properties

Compound NameCID 21116316
PubChem CID21116316
Molecular FormulaC5H8Cl2O2Si
Molecular Weight199.11 g/mol
Exact Mass197.97
IUPAC Name—
SMILESCOC(=O)CC[Si]C(Cl)Cl
InChIInChI=1S/C5H8Cl2O2Si/c1-9-4(8)2-3-10-5(6)7/h5H,2-3H2,1H3
InChIKeyAYFAJIIXVKSYOU-UHFFFAOYSA-N
XLogP1.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.11
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 21116316 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3,3-dichloropropanoate
CID 522760
methyl 6-chloroheptanoate
CID 11423919
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl pentanedioate;hydrochloride
CID 175168861
dimethyl hexanedioate;λ2-stannane
CID 173290075
dimethyl dotriacontanedioate
CID 14325565
dimethyl tricosanedioate
CID 12632762
dimethyl hexanedioate;stannane
CID 173290076
methyl 5-chloroheptanoate
CID 12772132
methyl 4-chloro(111C)butanoate
CID 11579134
dimethyl 4-methylheptanedioate
CID 521222
methyl 3-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 59280841

Frequently Asked Questions

What is the IUPAC name of CID 21116316?
The IUPAC name of CID 21116316 (CID 21116316) is not available.
What is the SMILES notation for CID 21116316?
The canonical SMILES for CID 21116316 is COC(=O)CC[Si]C(Cl)Cl.
What is the InChIKey of CID 21116316?
The InChIKey is AYFAJIIXVKSYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8Cl2O2Si/c1-9-4(8)2-3-10-5(6)7/h5H,2-3H2,1H3.
What are the key properties of CID 21116316?
CID 21116316 has a molecular weight of 199.11 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21116316 is sourced from PubChem (CID 21116316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).