trimethyl-(3-octyl-5-trimethylstannylthiophen-2-yl)stannane

C18H36SSn2 — CID 154725648

IUPACtrimethyl-(3-octyl-5-trimethylstannylthiophen-2-yl)stannane
SMILESCCCCCCCCc1cc([Sn](C)(C)C)sc1[Sn](C)(C)C
InChIInChI=1S/C12H18S.6CH3.2Sn/c1-2-3-4-5-6-7-8-12-9-10-13-11-12;;;;;;;;/h9H,2-8H2,1H3;6*1H3;;
InChIKeyQYFVWNIYYFMIHW-UHFFFAOYSA-N
MW521.98 g/mol
LogP5.74
Rot. Bonds9

About trimethyl-(3-octyl-5-trimethylstannylthiophen-2-yl)stannane

trimethyl-(3-octyl-5-trimethylstannylthiophen-2-yl)stannane (PubChem CID 154725648) has the molecular formula C18H36SSn2 and a molecular weight of 521.98 g/mol. Its IUPAC name is trimethyl-(3-octyl-5-trimethylstannylthiophen-2-yl)stannane.

Molecular Properties

Compound Nametrimethyl-(3-octyl-5-trimethylstannylthiophen-2-yl)stannane
PubChem CID154725648
Molecular FormulaC18H36SSn2
Molecular Weight521.98 g/mol
Exact Mass524.06
IUPAC Nametrimethyl-(3-octyl-5-trimethylstannylthiophen-2-yl)stannane
SMILESCCCCCCCCc1cc([Sn](C)(C)C)sc1[Sn](C)(C)C
InChIInChI=1S/C12H18S.6CH3.2Sn/c1-2-3-4-5-6-7-8-12-9-10-13-11-12;;;;;;;;/h9H,2-8H2,1H3;6*1H3;;
InChIKeyQYFVWNIYYFMIHW-UHFFFAOYSA-N
XLogP5.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.98
LogP ≤ 55.74
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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Related Compounds

[4-hexyl-5-[5-(3-hexyl-5-trimethylstannylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-trimethylstannane
CID 170898127
[3-dodecyl-5-[11-(4-dodecyl-5-trimethylstannylthiophen-2-yl)-5,12-di(heptadecyl)-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]thiophen-2-yl]-trimethylstannane
CID 140732763
(4,8-dioctyl-2-trimethylstannylthieno[3,2-f][1]benzothiol-6-yl)-trimethylstannane
CID 66653400
trimethyl-[3-octyl-5-[1-(3-octylthiophen-2-yl)ethenyl]thiophen-2-yl]stannane
CID 67304926
[4-hexyl-5-[2-[2-(3-hexyl-5-trimethylstannylthiophen-2-yl)thiophen-3-yl]thiophen-3-yl]thiophen-2-yl]-trimethylstannane
CID 67416525
(5-decylthiophen-2-yl)-trimethylstannane
CID 140863319
[4-dodecyl-5-[5-[5-(3-dodecyl-5-trimethylstannylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-trimethylstannane;2-(3-dodecylthiophen-2-yl)-5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophene
CID 158616925
3,4-didecylthiophene
CID 21200004
5,5'-bis(trimethylstannyl)-3,3'-dihexylsilylene-2,2'-bithiophene
CID 90218027
[5-[3,4-dioctyl-5-(5-trimethylstannylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-trimethylstannane
CID 153302217
[5-(5-icosylthiophen-2-yl)thiophen-2-yl]-trimethylstannane
CID 24744286
3-methyl-4-octylthiophene
CID 22052993

Frequently Asked Questions

What is the IUPAC name of trimethyl-(3-octyl-5-trimethylstannylthiophen-2-yl)stannane?
The IUPAC name of trimethyl-(3-octyl-5-trimethylstannylthiophen-2-yl)stannane (CID 154725648) is trimethyl-(3-octyl-5-trimethylstannylthiophen-2-yl)stannane.
What is the SMILES notation for trimethyl-(3-octyl-5-trimethylstannylthiophen-2-yl)stannane?
The canonical SMILES for trimethyl-(3-octyl-5-trimethylstannylthiophen-2-yl)stannane is CCCCCCCCc1cc([Sn](C)(C)C)sc1[Sn](C)(C)C.
What is the InChIKey of trimethyl-(3-octyl-5-trimethylstannylthiophen-2-yl)stannane?
The InChIKey is QYFVWNIYYFMIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18S.6CH3.2Sn/c1-2-3-4-5-6-7-8-12-9-10-13-11-12;;;;;;;;/h9H,2-8H2,1H3;6*1H3;;.
What are the key properties of trimethyl-(3-octyl-5-trimethylstannylthiophen-2-yl)stannane?
trimethyl-(3-octyl-5-trimethylstannylthiophen-2-yl)stannane has a molecular weight of 521.98 g/mol, XLogP of 5.74, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(3-octyl-5-trimethylstannylthiophen-2-yl)stannane is sourced from PubChem (CID 154725648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).