CID 177463927

C18H32NOSn — CID 177463927

IUPAC—
SMILESCCCC[Sn](CCCC)(CCCC)N([O])c1ccccc1
InChIInChI=1S/C6H5NO.3C4H9.Sn/c8-7-6-4-2-1-3-5-6;3*1-3-4-2;/h1-5H;3*1,3-4H2,2H3;/q-1;;;;+1
InChIKeyFKKLMVJXSGCJBH-UHFFFAOYSA-N
MW397.17 g/mol
LogP6.18
Rot. Bonds11

About CID 177463927

CID 177463927 (PubChem CID 177463927) has the molecular formula C18H32NOSn and a molecular weight of 397.17 g/mol.

Molecular Properties

Compound NameCID 177463927
PubChem CID177463927
Molecular FormulaC18H32NOSn
Molecular Weight397.17 g/mol
Exact Mass398.15
IUPAC Name—
SMILESCCCC[Sn](CCCC)(CCCC)N([O])c1ccccc1
InChIInChI=1S/C6H5NO.3C4H9.Sn/c8-7-6-4-2-1-3-5-6;3*1-3-4-2;/h1-5H;3*1,3-4H2,2H3;/q-1;;;;+1
InChIKeyFKKLMVJXSGCJBH-UHFFFAOYSA-N
XLogP6.18
TPSA23.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.17
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 177463927?
The IUPAC name of CID 177463927 (CID 177463927) is not available.
What is the SMILES notation for CID 177463927?
The canonical SMILES for CID 177463927 is CCCC[Sn](CCCC)(CCCC)N([O])c1ccccc1.
What is the InChIKey of CID 177463927?
The InChIKey is FKKLMVJXSGCJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO.3C4H9.Sn/c8-7-6-4-2-1-3-5-6;3*1-3-4-2;/h1-5H;3*1,3-4H2,2H3;/q-1;;;;+1.
What are the key properties of CID 177463927?
CID 177463927 has a molecular weight of 397.17 g/mol, XLogP of 6.18, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177463927 is sourced from PubChem (CID 177463927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).