CID 161253240

C6H17O3Sn — CID 161253240

IUPAC—
SMILESCC[Sn](CC)CC.OOO
InChIInChI=1S/3C2H5.H2O3.Sn/c3*1-2;1-3-2;/h3*1H2,2H3;1-2H;
InChIKeyVBOAJOUDLPSWSR-UHFFFAOYSA-N
MW255.91 g/mol
LogP2.49
Rot. Bonds3

About CID 161253240

CID 161253240 (PubChem CID 161253240) has the molecular formula C6H17O3Sn and a molecular weight of 255.91 g/mol.

Molecular Properties

Compound NameCID 161253240
PubChem CID161253240
Molecular FormulaC6H17O3Sn
Molecular Weight255.91 g/mol
Exact Mass257.02
IUPAC Name—
SMILESCC[Sn](CC)CC.OOO
InChIInChI=1S/3C2H5.H2O3.Sn/c3*1-2;1-3-2;/h3*1H2,2H3;1-2H;
InChIKeyVBOAJOUDLPSWSR-UHFFFAOYSA-N
XLogP2.49
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.91
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze CID 161253240 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

Triethyltin hydroxide
CID 6328054
Triethylstannanylium hydroxide
CID 21863342
CID 170842968
CID 170842968
Triethyltin hydroxide trimethyltin hydroxide
CID 129737373
Triethyl(trioxidanyl)germane
CID 134978650
Triethylstannol, Triethylstannanol, TRIETHYLTIN HYDROXIDE, Triethylhydroxystannane, Tin, triethylhydroxy-, Triethylstannylhydroxide, Stannane, triethylhydroxy-, EINECS 213-617-7, 994-32-1, LS-146634
CID 16058217
Triethyl(triethylstannylperoxy)stannane
CID 22129249
Ethane;hydrogen peroxide;propane
CID 142057502
Ethane;dihydrate
CID 143683036
Butyl(hydroperoxy)tin
CID 151618256
CID 157347195
CID 157347195
CID 158534064
CID 158534064

Frequently Asked Questions

What is the IUPAC name of CID 161253240?
The IUPAC name of CID 161253240 (CID 161253240) is not available.
What is the SMILES notation for CID 161253240?
The canonical SMILES for CID 161253240 is CC[Sn](CC)CC.OOO.
What is the InChIKey of CID 161253240?
The InChIKey is VBOAJOUDLPSWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C2H5.H2O3.Sn/c3*1-2;1-3-2;/h3*1H2,2H3;1-2H;.
What are the key properties of CID 161253240?
CID 161253240 has a molecular weight of 255.91 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161253240 is sourced from PubChem (CID 161253240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).