CID 86622856

C15H27Sn — CID 86622856

IUPAC—
SMILESCCCCC(C#C[Sn])(CCCC)CCCC
InChIInChI=1S/C15H27.Sn/c1-5-9-12-15(8-4,13-10-6-2)14-11-7-3;/h5-7,9-14H2,1-3H3;
InChIKeyMGESSBOEHBFMIL-UHFFFAOYSA-N
MW326.09 g/mol
LogP4.67
Rot. Bonds9

About CID 86622856

CID 86622856 (PubChem CID 86622856) has the molecular formula C15H27Sn and a molecular weight of 326.09 g/mol.

Molecular Properties

Compound NameCID 86622856
PubChem CID86622856
Molecular FormulaC15H27Sn
Molecular Weight326.09 g/mol
Exact Mass327.11
IUPAC Name—
SMILESCCCCC(C#C[Sn])(CCCC)CCCC
InChIInChI=1S/C15H27.Sn/c1-5-9-12-15(8-4,13-10-6-2)14-11-7-3;/h5-7,9-14H2,1-3H3;
InChIKeyMGESSBOEHBFMIL-UHFFFAOYSA-N
XLogP4.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.09
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 21410163
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Frequently Asked Questions

What is the IUPAC name of CID 86622856?
The IUPAC name of CID 86622856 (CID 86622856) is not available.
What is the SMILES notation for CID 86622856?
The canonical SMILES for CID 86622856 is CCCCC(C#C[Sn])(CCCC)CCCC.
What is the InChIKey of CID 86622856?
The InChIKey is MGESSBOEHBFMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27.Sn/c1-5-9-12-15(8-4,13-10-6-2)14-11-7-3;/h5-7,9-14H2,1-3H3;.
What are the key properties of CID 86622856?
CID 86622856 has a molecular weight of 326.09 g/mol, XLogP of 4.67, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 86622856 is sourced from PubChem (CID 86622856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).