CID 6338091

C14H31O3Sn — CID 6338091

IUPAC—
SMILESCCCC[Sn](CCCC)CCCC.O=C(O)CO
InChIInChI=1S/3C4H9.C2H4O3.Sn/c3*1-3-4-2;3-1-2(4)5;/h3*1,3-4H2,2H3;3H,1H2,(H,4,5);
InChIKeyVCPFXDAFDLVBIR-UHFFFAOYSA-N
MW366.11 g/mol
LogP3.94
Rot. Bonds10

About CID 6338091

CID 6338091 (PubChem CID 6338091) has the molecular formula C14H31O3Sn and a molecular weight of 366.11 g/mol.

Molecular Properties

Compound NameCID 6338091
PubChem CID6338091
Molecular FormulaC14H31O3Sn
Molecular Weight366.11 g/mol
Exact Mass367.13
IUPAC Name—
SMILESCCCC[Sn](CCCC)CCCC.O=C(O)CO
InChIInChI=1S/3C4H9.C2H4O3.Sn/c3*1-3-4-2;3-1-2(4)5;/h3*1,3-4H2,2H3;3H,1H2,(H,4,5);
InChIKeyVCPFXDAFDLVBIR-UHFFFAOYSA-N
XLogP3.94
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.11
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 6338091?
The IUPAC name of CID 6338091 (CID 6338091) is not available.
What is the SMILES notation for CID 6338091?
The canonical SMILES for CID 6338091 is CCCC[Sn](CCCC)CCCC.O=C(O)CO.
What is the InChIKey of CID 6338091?
The InChIKey is VCPFXDAFDLVBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9.C2H4O3.Sn/c3*1-3-4-2;3-1-2(4)5;/h3*1,3-4H2,2H3;3H,1H2,(H,4,5);.
What are the key properties of CID 6338091?
CID 6338091 has a molecular weight of 366.11 g/mol, XLogP of 3.94, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6338091 is sourced from PubChem (CID 6338091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).