CID 18316592

C21H42NO3Sn — CID 18316592

IUPAC—
SMILESCC(C)(C)OC(=O)N1C=C(O)CC1.CCCC[Sn](CCCC)CCCC
InChIInChI=1S/C9H15NO3.3C4H9.Sn/c1-9(2,3)13-8(12)10-5-4-7(11)6-10;3*1-3-4-2;/h6,11H,4-5H2,1-3H3;3*1,3-4H2,2H3;
InChIKeySZTSNTMIONCLIC-UHFFFAOYSA-N
MW475.28 g/mol
LogP6.91
Rot. Bonds9

About CID 18316592

CID 18316592 (PubChem CID 18316592) has the molecular formula C21H42NO3Sn and a molecular weight of 475.28 g/mol.

Molecular Properties

Compound NameCID 18316592
PubChem CID18316592
Molecular FormulaC21H42NO3Sn
Molecular Weight475.28 g/mol
Exact Mass476.22
IUPAC Name—
SMILESCC(C)(C)OC(=O)N1C=C(O)CC1.CCCC[Sn](CCCC)CCCC
InChIInChI=1S/C9H15NO3.3C4H9.Sn/c1-9(2,3)13-8(12)10-5-4-7(11)6-10;3*1-3-4-2;/h6,11H,4-5H2,1-3H3;3*1,3-4H2,2H3;
InChIKeySZTSNTMIONCLIC-UHFFFAOYSA-N
XLogP6.91
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.28
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 18316592?
The IUPAC name of CID 18316592 (CID 18316592) is not available.
What is the SMILES notation for CID 18316592?
The canonical SMILES for CID 18316592 is CC(C)(C)OC(=O)N1C=C(O)CC1.CCCC[Sn](CCCC)CCCC.
What is the InChIKey of CID 18316592?
The InChIKey is SZTSNTMIONCLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3.3C4H9.Sn/c1-9(2,3)13-8(12)10-5-4-7(11)6-10;3*1-3-4-2;/h6,11H,4-5H2,1-3H3;3*1,3-4H2,2H3;.
What are the key properties of CID 18316592?
CID 18316592 has a molecular weight of 475.28 g/mol, XLogP of 6.91, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18316592 is sourced from PubChem (CID 18316592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).