heptoxy(phenyl)tin

C13H20OSn — CID 151888310

IUPACheptoxy(phenyl)tin
SMILESCCCCCCCO[Sn]c1ccccc1
InChIInChI=1S/C7H15O.C6H5.Sn/c1-2-3-4-5-6-7-8;1-2-4-6-5-3-1;/h2-7H2,1H3;1-5H;/q-1;;+1
InChIKeySQEQMROIIMGFCF-UHFFFAOYSA-N
MW311.01 g/mol
LogP2.92
Rot. Bonds8

About heptoxy(phenyl)tin

heptoxy(phenyl)tin (PubChem CID 151888310) has the molecular formula C13H20OSn and a molecular weight of 311.01 g/mol. Its IUPAC name is heptoxy(phenyl)tin.

Molecular Properties

Compound Nameheptoxy(phenyl)tin
PubChem CID151888310
Molecular FormulaC13H20OSn
Molecular Weight311.01 g/mol
Exact Mass312.05
IUPAC Nameheptoxy(phenyl)tin
SMILESCCCCCCCO[Sn]c1ccccc1
InChIInChI=1S/C7H15O.C6H5.Sn/c1-2-3-4-5-6-7-8;1-2-4-6-5-3-1;/h2-7H2,1H3;1-5H;/q-1;;+1
InChIKeySQEQMROIIMGFCF-UHFFFAOYSA-N
XLogP2.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.01
LogP ≤ 52.92
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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Frequently Asked Questions

What is the IUPAC name of heptoxy(phenyl)tin?
The IUPAC name of heptoxy(phenyl)tin (CID 151888310) is heptoxy(phenyl)tin.
What is the SMILES notation for heptoxy(phenyl)tin?
The canonical SMILES for heptoxy(phenyl)tin is CCCCCCCO[Sn]c1ccccc1.
What is the InChIKey of heptoxy(phenyl)tin?
The InChIKey is SQEQMROIIMGFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O.C6H5.Sn/c1-2-3-4-5-6-7-8;1-2-4-6-5-3-1;/h2-7H2,1H3;1-5H;/q-1;;+1.
What are the key properties of heptoxy(phenyl)tin?
heptoxy(phenyl)tin has a molecular weight of 311.01 g/mol, XLogP of 2.92, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for heptoxy(phenyl)tin is sourced from PubChem (CID 151888310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).