CID 170852006

C24H40O8Sn — CID 170852006

IUPAC—
SMILESCCCCOC(=O)/C=C\C([O])=O.CCCCOC(=O)/C=C\C([O])=O.[CH2]CCC.[CH2]CCC.[Sn]
InChIInChI=1S/2C8H11O4.2C4H9.Sn/c2*1-2-3-6-12-8(11)5-4-7(9)10;2*1-3-4-2;/h2*4-5H,2-3,6H2,1H3;2*1,3-4H2,2H3;/b2*5-4-;;;
InChIKeyPUQGBNDOKOHDQO-NRFIWDAESA-N
MW575.29 g/mol
LogP4.55
Rot. Bonds12

About CID 170852006

CID 170852006 (PubChem CID 170852006) has the molecular formula C24H40O8Sn and a molecular weight of 575.29 g/mol.

Molecular Properties

Compound NameCID 170852006
PubChem CID170852006
Molecular FormulaC24H40O8Sn
Molecular Weight575.29 g/mol
Exact Mass576.17
IUPAC Name—
SMILESCCCCOC(=O)/C=C\C([O])=O.CCCCOC(=O)/C=C\C([O])=O.[CH2]CCC.[CH2]CCC.[Sn]
InChIInChI=1S/2C8H11O4.2C4H9.Sn/c2*1-2-3-6-12-8(11)5-4-7(9)10;2*1-3-4-2;/h2*4-5H,2-3,6H2,1H3;2*1,3-4H2,2H3;/b2*5-4-;;;
InChIKeyPUQGBNDOKOHDQO-NRFIWDAESA-N
XLogP4.55
TPSA126.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.29
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 170852006?
The IUPAC name of CID 170852006 (CID 170852006) is not available.
What is the SMILES notation for CID 170852006?
The canonical SMILES for CID 170852006 is CCCCOC(=O)/C=C\C([O])=O.CCCCOC(=O)/C=C\C([O])=O.[CH2]CCC.[CH2]CCC.[Sn].
What is the InChIKey of CID 170852006?
The InChIKey is PUQGBNDOKOHDQO-NRFIWDAESA-N. The full InChI is InChI=1S/2C8H11O4.2C4H9.Sn/c2*1-2-3-6-12-8(11)5-4-7(9)10;2*1-3-4-2;/h2*4-5H,2-3,6H2,1H3;2*1,3-4H2,2H3;/b2*5-4-;;;.
What are the key properties of CID 170852006?
CID 170852006 has a molecular weight of 575.29 g/mol, XLogP of 4.55, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170852006 is sourced from PubChem (CID 170852006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).