CID 87259925

C5H11OSn — CID 87259925

IUPAC—
SMILESCCCCC[Sn]=O
InChIInChI=1S/C5H11.O.Sn/c1-3-5-4-2;;/h1,3-5H2,2H3;;
InChIKeyIRWPJBOFORGCQU-UHFFFAOYSA-N
MW205.85 g/mol
LogP1.64
Rot. Bonds4

About CID 87259925

CID 87259925 (PubChem CID 87259925) has the molecular formula C5H11OSn and a molecular weight of 205.85 g/mol.

Molecular Properties

Compound NameCID 87259925
PubChem CID87259925
Molecular FormulaC5H11OSn
Molecular Weight205.85 g/mol
Exact Mass206.98
IUPAC Name—
SMILESCCCCC[Sn]=O
InChIInChI=1S/C5H11.O.Sn/c1-3-5-4-2;;/h1,3-5H2,2H3;;
InChIKeyIRWPJBOFORGCQU-UHFFFAOYSA-N
XLogP1.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.85
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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dooctacontane
CID 522649
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CID 158944700

Frequently Asked Questions

What is the IUPAC name of CID 87259925?
The IUPAC name of CID 87259925 (CID 87259925) is not available.
What is the SMILES notation for CID 87259925?
The canonical SMILES for CID 87259925 is CCCCC[Sn]=O.
What is the InChIKey of CID 87259925?
The InChIKey is IRWPJBOFORGCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11.O.Sn/c1-3-5-4-2;;/h1,3-5H2,2H3;;.
What are the key properties of CID 87259925?
CID 87259925 has a molecular weight of 205.85 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87259925 is sourced from PubChem (CID 87259925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).