CID 158534064

C12H29O3Sn — CID 158534064

IUPAC—
SMILESCCCC[Sn](CCCC)CCCC.OOO
InChIInChI=1S/3C4H9.H2O3.Sn/c3*1-3-4-2;1-3-2;/h3*1,3-4H2,2H3;1-2H;
InChIKeyHNSOAGBTIMEGDA-UHFFFAOYSA-N
MW340.07 g/mol
LogP4.83
Rot. Bonds9

About CID 158534064

CID 158534064 (PubChem CID 158534064) has the molecular formula C12H29O3Sn and a molecular weight of 340.07 g/mol.

Molecular Properties

Compound NameCID 158534064
PubChem CID158534064
Molecular FormulaC12H29O3Sn
Molecular Weight340.07 g/mol
Exact Mass341.11
IUPAC Name—
SMILESCCCC[Sn](CCCC)CCCC.OOO
InChIInChI=1S/3C4H9.H2O3.Sn/c3*1-3-4-2;1-3-2;/h3*1,3-4H2,2H3;1-2H;
InChIKeyHNSOAGBTIMEGDA-UHFFFAOYSA-N
XLogP4.83
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.07
LogP ≤ 54.83
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'}

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Frequently Asked Questions

What is the IUPAC name of CID 158534064?
The IUPAC name of CID 158534064 (CID 158534064) is not available.
What is the SMILES notation for CID 158534064?
The canonical SMILES for CID 158534064 is CCCC[Sn](CCCC)CCCC.OOO.
What is the InChIKey of CID 158534064?
The InChIKey is HNSOAGBTIMEGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9.H2O3.Sn/c3*1-3-4-2;1-3-2;/h3*1,3-4H2,2H3;1-2H;.
What are the key properties of CID 158534064?
CID 158534064 has a molecular weight of 340.07 g/mol, XLogP of 4.83, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158534064 is sourced from PubChem (CID 158534064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).