CID 157347195

C8H20O3Sn — CID 157347195

IUPAC—
SMILESCCCC[Sn]CCCC.OOO
InChIInChI=1S/2C4H9.H2O3.Sn/c2*1-3-4-2;1-3-2;/h2*1,3-4H2,2H3;1-2H;
InChIKeyBHCMUFPNGREEFT-UHFFFAOYSA-N
MW282.96 g/mol
LogP3.08
Rot. Bonds6

About CID 157347195

CID 157347195 (PubChem CID 157347195) has the molecular formula C8H20O3Sn and a molecular weight of 282.96 g/mol.

Molecular Properties

Compound NameCID 157347195
PubChem CID157347195
Molecular FormulaC8H20O3Sn
Molecular Weight282.96 g/mol
Exact Mass284.04
IUPAC Name—
SMILESCCCC[Sn]CCCC.OOO
InChIInChI=1S/2C4H9.H2O3.Sn/c2*1-3-4-2;1-3-2;/h2*1,3-4H2,2H3;1-2H;
InChIKeyBHCMUFPNGREEFT-UHFFFAOYSA-N
XLogP3.08
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.96
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 157347195?
The IUPAC name of CID 157347195 (CID 157347195) is not available.
What is the SMILES notation for CID 157347195?
The canonical SMILES for CID 157347195 is CCCC[Sn]CCCC.OOO.
What is the InChIKey of CID 157347195?
The InChIKey is BHCMUFPNGREEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9.H2O3.Sn/c2*1-3-4-2;1-3-2;/h2*1,3-4H2,2H3;1-2H;.
What are the key properties of CID 157347195?
CID 157347195 has a molecular weight of 282.96 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157347195 is sourced from PubChem (CID 157347195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).