CID 171374592

C17H42O2Sn — CID 171374592

IUPAC—
SMILESCCCC.CCCC.CCCC.CCOC(C)OC.[Sn]
InChIInChI=1S/C5H12O2.3C4H10.Sn/c1-4-7-5(2)6-3;3*1-3-4-2;/h5H,4H2,1-3H3;3*3-4H2,1-2H3;
InChIKeyZDQCIFIEILMOSC-UHFFFAOYSA-N
MW397.23 g/mol
LogP6.05
Rot. Bonds6

About CID 171374592

CID 171374592 (PubChem CID 171374592) has the molecular formula C17H42O2Sn and a molecular weight of 397.23 g/mol.

Molecular Properties

Compound NameCID 171374592
PubChem CID171374592
Molecular FormulaC17H42O2Sn
Molecular Weight397.23 g/mol
Exact Mass398.22
IUPAC Name—
SMILESCCCC.CCCC.CCCC.CCOC(C)OC.[Sn]
InChIInChI=1S/C5H12O2.3C4H10.Sn/c1-4-7-5(2)6-3;3*1-3-4-2;/h5H,4H2,1-3H3;3*3-4H2,1-2H3;
InChIKeyZDQCIFIEILMOSC-UHFFFAOYSA-N
XLogP6.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.23
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 171374592?
The IUPAC name of CID 171374592 (CID 171374592) is not available.
What is the SMILES notation for CID 171374592?
The canonical SMILES for CID 171374592 is CCCC.CCCC.CCCC.CCOC(C)OC.[Sn].
What is the InChIKey of CID 171374592?
The InChIKey is ZDQCIFIEILMOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2.3C4H10.Sn/c1-4-7-5(2)6-3;3*1-3-4-2;/h5H,4H2,1-3H3;3*3-4H2,1-2H3;.
What are the key properties of CID 171374592?
CID 171374592 has a molecular weight of 397.23 g/mol, XLogP of 6.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 171374592 is sourced from PubChem (CID 171374592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).