CID 171375365

C32H80OSn3 — CID 171375365

IUPAC
SMILESCCCC.CCCC.CCCC.CCCC.CCCC.CCCC.CCCC.CCOCC.[Sn].[Sn].[Sn]
InChIInChI=1S/C4H10O.7C4H10.3Sn/c1-3-5-4-2;7*1-3-4-2;;;/h3-4H2,1-2H3;7*3-4H2,1-2H3;;;
InChIKeyWUBRWAWTXIJRKJ-UHFFFAOYSA-N
MW837.12 g/mol
LogP12.55
Rot. Bonds9

About CID 171375365

CID 171375365 (PubChem CID 171375365) has the molecular formula C32H80OSn3 and a molecular weight of 837.12 g/mol.

Molecular Properties

Compound NameCID 171375365
PubChem CID171375365
Molecular FormulaC32H80OSn3
Molecular Weight837.12 g/mol
Exact Mass840.33
IUPAC Name
SMILESCCCC.CCCC.CCCC.CCCC.CCCC.CCCC.CCCC.CCOCC.[Sn].[Sn].[Sn]
InChIInChI=1S/C4H10O.7C4H10.3Sn/c1-3-5-4-2;7*1-3-4-2;;;/h3-4H2,1-2H3;7*3-4H2,1-2H3;;;
InChIKeyWUBRWAWTXIJRKJ-UHFFFAOYSA-N
XLogP12.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms36
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500837.12
LogP ≤ 512.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 171375365?
The IUPAC name of CID 171375365 (CID 171375365) is not available.
What is the SMILES notation for CID 171375365?
The canonical SMILES for CID 171375365 is CCCC.CCCC.CCCC.CCCC.CCCC.CCCC.CCCC.CCOCC.[Sn].[Sn].[Sn].
What is the InChIKey of CID 171375365?
The InChIKey is WUBRWAWTXIJRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.7C4H10.3Sn/c1-3-5-4-2;7*1-3-4-2;;;/h3-4H2,1-2H3;7*3-4H2,1-2H3;;;.
What are the key properties of CID 171375365?
CID 171375365 has a molecular weight of 837.12 g/mol, XLogP of 12.55, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 171375365 is sourced from PubChem (CID 171375365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).