CID 162310695

C8H17O2Sn — CID 162310695

IUPAC—
SMILESCC(=O)O.CCCCCC[Sn]
InChIInChI=1S/C6H13.C2H4O2.Sn/c1-3-5-6-4-2;1-2(3)4;/h1,3-6H2,2H3;1H3,(H,3,4);
InChIKeyPPAFWTRJDGTPMF-UHFFFAOYSA-N
MW263.93 g/mol
LogP2.24
Rot. Bonds4

About CID 162310695

CID 162310695 (PubChem CID 162310695) has the molecular formula C8H17O2Sn and a molecular weight of 263.93 g/mol.

Molecular Properties

Compound NameCID 162310695
PubChem CID162310695
Molecular FormulaC8H17O2Sn
Molecular Weight263.93 g/mol
Exact Mass265.03
IUPAC Name—
SMILESCC(=O)O.CCCCCC[Sn]
InChIInChI=1S/C6H13.C2H4O2.Sn/c1-3-5-6-4-2;1-2(3)4;/h1,3-6H2,2H3;1H3,(H,3,4);
InChIKeyPPAFWTRJDGTPMF-UHFFFAOYSA-N
XLogP2.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.93
LogP ≤ 52.24
H-Bond Donors ≤ 51
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 CID 162310695?
The IUPAC name of CID 162310695 (CID 162310695) is not available.
What is the SMILES notation for CID 162310695?
The canonical SMILES for CID 162310695 is CC(=O)O.CCCCCC[Sn].
What is the InChIKey of CID 162310695?
The InChIKey is PPAFWTRJDGTPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13.C2H4O2.Sn/c1-3-5-6-4-2;1-2(3)4;/h1,3-6H2,2H3;1H3,(H,3,4);.
What are the key properties of CID 162310695?
CID 162310695 has a molecular weight of 263.93 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162310695 is sourced from PubChem (CID 162310695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).