2-hexyl-1-(5-tributylstannylthiophen-3-yl)decan-1-one

C32H60OSSn — CID 175026289

IUPAC2-hexyl-1-(5-tributylstannylthiophen-3-yl)decan-1-one
SMILESCCCCCCCCC(CCCCCC)C(=O)c1csc([Sn](CCCC)(CCCC)CCCC)c1
InChIInChI=1S/C20H33OS.3C4H9.Sn/c1-3-5-7-9-10-12-14-18(13-11-8-6-4-2)20(21)19-15-16-22-17-19;3*1-3-4-2;/h15,17-18H,3-14H2,1-2H3;3*1,3-4H2,2H3;
InChIKeySIBFMXXKXJIIPJ-UHFFFAOYSA-N
MW611.61 g/mol
LogP11.32
Rot. Bonds24

About 2-hexyl-1-(5-tributylstannylthiophen-3-yl)decan-1-one

2-hexyl-1-(5-tributylstannylthiophen-3-yl)decan-1-one (PubChem CID 175026289) has the molecular formula C32H60OSSn and a molecular weight of 611.61 g/mol. Its IUPAC name is 2-hexyl-1-(5-tributylstannylthiophen-3-yl)decan-1-one.

Molecular Properties

Compound Name2-hexyl-1-(5-tributylstannylthiophen-3-yl)decan-1-one
PubChem CID175026289
Molecular FormulaC32H60OSSn
Molecular Weight611.61 g/mol
Exact Mass612.34
IUPAC Name2-hexyl-1-(5-tributylstannylthiophen-3-yl)decan-1-one
SMILESCCCCCCCCC(CCCCCC)C(=O)c1csc([Sn](CCCC)(CCCC)CCCC)c1
InChIInChI=1S/C20H33OS.3C4H9.Sn/c1-3-5-7-9-10-12-14-18(13-11-8-6-4-2)20(21)19-15-16-22-17-19;3*1-3-4-2;/h15,17-18H,3-14H2,1-2H3;3*1,3-4H2,2H3;
InChIKeySIBFMXXKXJIIPJ-UHFFFAOYSA-N
XLogP11.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.61
LogP ≤ 511.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-hexyl-1-(5-tributylstannylthiophen-3-yl)decan-1-one?
The IUPAC name of 2-hexyl-1-(5-tributylstannylthiophen-3-yl)decan-1-one (CID 175026289) is 2-hexyl-1-(5-tributylstannylthiophen-3-yl)decan-1-one.
What is the SMILES notation for 2-hexyl-1-(5-tributylstannylthiophen-3-yl)decan-1-one?
The canonical SMILES for 2-hexyl-1-(5-tributylstannylthiophen-3-yl)decan-1-one is CCCCCCCCC(CCCCCC)C(=O)c1csc([Sn](CCCC)(CCCC)CCCC)c1.
What is the InChIKey of 2-hexyl-1-(5-tributylstannylthiophen-3-yl)decan-1-one?
The InChIKey is SIBFMXXKXJIIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33OS.3C4H9.Sn/c1-3-5-7-9-10-12-14-18(13-11-8-6-4-2)20(21)19-15-16-22-17-19;3*1-3-4-2;/h15,17-18H,3-14H2,1-2H3;3*1,3-4H2,2H3;.
What are the key properties of 2-hexyl-1-(5-tributylstannylthiophen-3-yl)decan-1-one?
2-hexyl-1-(5-tributylstannylthiophen-3-yl)decan-1-one has a molecular weight of 611.61 g/mol, XLogP of 11.32, 24 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-1-(5-tributylstannylthiophen-3-yl)decan-1-one is sourced from PubChem (CID 175026289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).