CID 16684913

C9H15OSn — CID 16684913

IUPAC—
SMILESC=CC1(O[Sn])CCCCCC1
InChIInChI=1S/C9H15O.Sn/c1-2-9(10)7-5-3-4-6-8-9;/h2H,1,3-8H2;/q-1;+1
InChIKeyMDZWWHRFLCYWEO-UHFFFAOYSA-N
MW257.93 g/mol
LogP2.37
Rot. Bonds2

About CID 16684913

CID 16684913 (PubChem CID 16684913) has the molecular formula C9H15OSn and a molecular weight of 257.93 g/mol.

Molecular Properties

Compound NameCID 16684913
PubChem CID16684913
Molecular FormulaC9H15OSn
Molecular Weight257.93 g/mol
Exact Mass259.01
IUPAC Name—
SMILESC=CC1(O[Sn])CCCCCC1
InChIInChI=1S/C9H15O.Sn/c1-2-9(10)7-5-3-4-6-8-9;/h2H,1,3-8H2;/q-1;+1
InChIKeyMDZWWHRFLCYWEO-UHFFFAOYSA-N
XLogP2.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.93
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 16684913?
The IUPAC name of CID 16684913 (CID 16684913) is not available.
What is the SMILES notation for CID 16684913?
The canonical SMILES for CID 16684913 is C=CC1(O[Sn])CCCCCC1.
What is the InChIKey of CID 16684913?
The InChIKey is MDZWWHRFLCYWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15O.Sn/c1-2-9(10)7-5-3-4-6-8-9;/h2H,1,3-8H2;/q-1;+1.
What are the key properties of CID 16684913?
CID 16684913 has a molecular weight of 257.93 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 16684913 is sourced from PubChem (CID 16684913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).