CID 157080015

C12H27O3Sn — CID 157080015

IUPAC—
SMILESCCCC[Sn].OCCCCOCCCCO
InChIInChI=1S/C8H18O3.C4H9.Sn/c9-5-1-3-7-11-8-4-2-6-10;1-3-4-2;/h9-10H,1-8H2;1,3-4H2,2H3;
InChIKeyADKSBPBFSJYPDY-UHFFFAOYSA-N
MW338.06 g/mol
LogP1.92
Rot. Bonds10

About CID 157080015

CID 157080015 (PubChem CID 157080015) has the molecular formula C12H27O3Sn and a molecular weight of 338.06 g/mol.

Molecular Properties

Compound NameCID 157080015
PubChem CID157080015
Molecular FormulaC12H27O3Sn
Molecular Weight338.06 g/mol
Exact Mass339.10
IUPAC Name—
SMILESCCCC[Sn].OCCCCOCCCCO
InChIInChI=1S/C8H18O3.C4H9.Sn/c9-5-1-3-7-11-8-4-2-6-10;1-3-4-2;/h9-10H,1-8H2;1,3-4H2,2H3;
InChIKeyADKSBPBFSJYPDY-UHFFFAOYSA-N
XLogP1.92
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.06
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 157080015?
The IUPAC name of CID 157080015 (CID 157080015) is not available.
What is the SMILES notation for CID 157080015?
The canonical SMILES for CID 157080015 is CCCC[Sn].OCCCCOCCCCO.
What is the InChIKey of CID 157080015?
The InChIKey is ADKSBPBFSJYPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3.C4H9.Sn/c9-5-1-3-7-11-8-4-2-6-10;1-3-4-2;/h9-10H,1-8H2;1,3-4H2,2H3;.
What are the key properties of CID 157080015?
CID 157080015 has a molecular weight of 338.06 g/mol, XLogP of 1.92, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157080015 is sourced from PubChem (CID 157080015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).