CID 159804597

C16H35O2Sn — CID 159804597

IUPAC—
SMILESCCCC(=O)O.CCCC[Sn](CCCC)CCCC
InChIInChI=1S/C4H8O2.3C4H9.Sn/c1-2-3-4(5)6;3*1-3-4-2;/h2-3H2,1H3,(H,5,6);3*1,3-4H2,2H3;
InChIKeyNKFOVIPESVXKIR-UHFFFAOYSA-N
MW378.17 g/mol
LogP5.75
Rot. Bonds11

About CID 159804597

CID 159804597 (PubChem CID 159804597) has the molecular formula C16H35O2Sn and a molecular weight of 378.17 g/mol.

Molecular Properties

Compound NameCID 159804597
PubChem CID159804597
Molecular FormulaC16H35O2Sn
Molecular Weight378.17 g/mol
Exact Mass379.17
IUPAC Name—
SMILESCCCC(=O)O.CCCC[Sn](CCCC)CCCC
InChIInChI=1S/C4H8O2.3C4H9.Sn/c1-2-3-4(5)6;3*1-3-4-2;/h2-3H2,1H3,(H,5,6);3*1,3-4H2,2H3;
InChIKeyNKFOVIPESVXKIR-UHFFFAOYSA-N
XLogP5.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.17
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 159804597?
The IUPAC name of CID 159804597 (CID 159804597) is not available.
What is the SMILES notation for CID 159804597?
The canonical SMILES for CID 159804597 is CCCC(=O)O.CCCC[Sn](CCCC)CCCC.
What is the InChIKey of CID 159804597?
The InChIKey is NKFOVIPESVXKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.3C4H9.Sn/c1-2-3-4(5)6;3*1-3-4-2;/h2-3H2,1H3,(H,5,6);3*1,3-4H2,2H3;.
What are the key properties of CID 159804597?
CID 159804597 has a molecular weight of 378.17 g/mol, XLogP of 5.75, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159804597 is sourced from PubChem (CID 159804597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).