CID 159328585

C12H24O4Sn — CID 159328585

IUPAC—
SMILESCCCCOC(C)=O.CCCCOC(C)=O.[Sn]
InChIInChI=1S/2C6H12O2.Sn/c2*1-3-4-5-8-6(2)7;/h2*3-5H2,1-2H3;
InChIKeyLERMQUULPSCGHK-UHFFFAOYSA-N
MW351.03 g/mol
LogP2.32
Rot. Bonds6

About CID 159328585

CID 159328585 (PubChem CID 159328585) has the molecular formula C12H24O4Sn and a molecular weight of 351.03 g/mol.

Molecular Properties

Compound NameCID 159328585
PubChem CID159328585
Molecular FormulaC12H24O4Sn
Molecular Weight351.03 g/mol
Exact Mass352.07
IUPAC Name—
SMILESCCCCOC(C)=O.CCCCOC(C)=O.[Sn]
InChIInChI=1S/2C6H12O2.Sn/c2*1-3-4-5-8-6(2)7;/h2*3-5H2,1-2H3;
InChIKeyLERMQUULPSCGHK-UHFFFAOYSA-N
XLogP2.32
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.03
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 162323537
CID 162323537

Frequently Asked Questions

What is the IUPAC name of CID 159328585?
The IUPAC name of CID 159328585 (CID 159328585) is not available.
What is the SMILES notation for CID 159328585?
The canonical SMILES for CID 159328585 is CCCCOC(C)=O.CCCCOC(C)=O.[Sn].
What is the InChIKey of CID 159328585?
The InChIKey is LERMQUULPSCGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H12O2.Sn/c2*1-3-4-5-8-6(2)7;/h2*3-5H2,1-2H3;.
What are the key properties of CID 159328585?
CID 159328585 has a molecular weight of 351.03 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159328585 is sourced from PubChem (CID 159328585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).