CID 6374952

C18H34NO4Sn — CID 6374952

IUPAC—
SMILESCCCC[Sn](CCCC)CCCC.O=C(O)CN1C(=O)CCC1=O
InChIInChI=1S/C6H7NO4.3C4H9.Sn/c8-4-1-2-5(9)7(4)3-6(10)11;3*1-3-4-2;/h1-3H2,(H,10,11);3*1,3-4H2,2H3;
InChIKeyGDIISSMEMXCJFI-UHFFFAOYSA-N
MW447.18 g/mol
LogP4.10
Rot. Bonds11

About CID 6374952

CID 6374952 (PubChem CID 6374952) has the molecular formula C18H34NO4Sn and a molecular weight of 447.18 g/mol.

Molecular Properties

Compound NameCID 6374952
PubChem CID6374952
Molecular FormulaC18H34NO4Sn
Molecular Weight447.18 g/mol
Exact Mass448.15
IUPAC Name—
SMILESCCCC[Sn](CCCC)CCCC.O=C(O)CN1C(=O)CCC1=O
InChIInChI=1S/C6H7NO4.3C4H9.Sn/c8-4-1-2-5(9)7(4)3-6(10)11;3*1-3-4-2;/h1-3H2,(H,10,11);3*1,3-4H2,2H3;
InChIKeyGDIISSMEMXCJFI-UHFFFAOYSA-N
XLogP4.10
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.18
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 6374952?
The IUPAC name of CID 6374952 (CID 6374952) is not available.
What is the SMILES notation for CID 6374952?
The canonical SMILES for CID 6374952 is CCCC[Sn](CCCC)CCCC.O=C(O)CN1C(=O)CCC1=O.
What is the InChIKey of CID 6374952?
The InChIKey is GDIISSMEMXCJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO4.3C4H9.Sn/c8-4-1-2-5(9)7(4)3-6(10)11;3*1-3-4-2;/h1-3H2,(H,10,11);3*1,3-4H2,2H3;.
What are the key properties of CID 6374952?
CID 6374952 has a molecular weight of 447.18 g/mol, XLogP of 4.10, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6374952 is sourced from PubChem (CID 6374952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).