tert-butyl-(4-dodecylthiophen-2-yl)tin

C20H36SSn — CID 141271946

IUPACtert-butyl-(4-dodecylthiophen-2-yl)tin
SMILESCCCCCCCCCCCCc1csc([Sn]C(C)(C)C)c1
InChIInChI=1S/C16H27S.C4H9.Sn/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-14-17-15-16;1-4(2)3;/h13,15H,2-12H2,1H3;1-3H3;
InChIKeyIFEQSDZWCJSEJT-UHFFFAOYSA-N
MW427.29 g/mol
LogP6.76
Rot. Bonds12

About tert-butyl-(4-dodecylthiophen-2-yl)tin

tert-butyl-(4-dodecylthiophen-2-yl)tin (PubChem CID 141271946) has the molecular formula C20H36SSn and a molecular weight of 427.29 g/mol. Its IUPAC name is tert-butyl-(4-dodecylthiophen-2-yl)tin.

Molecular Properties

Compound Nametert-butyl-(4-dodecylthiophen-2-yl)tin
PubChem CID141271946
Molecular FormulaC20H36SSn
Molecular Weight427.29 g/mol
Exact Mass428.16
IUPAC Nametert-butyl-(4-dodecylthiophen-2-yl)tin
SMILESCCCCCCCCCCCCc1csc([Sn]C(C)(C)C)c1
InChIInChI=1S/C16H27S.C4H9.Sn/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-14-17-15-16;1-4(2)3;/h13,15H,2-12H2,1H3;1-3H3;
InChIKeyIFEQSDZWCJSEJT-UHFFFAOYSA-N
XLogP6.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.29
LogP ≤ 56.76
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-nonyl-2-(4-nonylthiophen-2-yl)thiophene
CID 139119009
4-hexyl-2-[4-(4-hexylthiophen-2-yl)-2,5-dimethylphenyl]thiophene
CID 101038762
sodium (4-dodecylthiophen-2-yl)-trihydroxyboranuide
CID 23697394
4-dodecylthiophene-2-carboxylic acid
CID 70496185
disodium;(4-octylthiophen-2-yl)-dioxidoborane
CID 177471091
4-hexyl-2-(4-methylphenyl)thiophene
CID 102312853
1-tert-butyl-4-undecylbenzene
CID 162402478
4-butyl-2-methylthiophene
CID 59065430
1-butyl-3,5-di(tetradecyl)benzene
CID 91192270
tributyl-(4-pentylthiophen-2-yl)stannane
CID 176916017
1,1-bis(4-hexylthiophen-2-yl)propan-2-one
CID 118412629
5-(4-hexylthiophen-2-yl)-2-[5-(4-hexylthiophen-2-yl)-1,3-thiazol-2-yl]-1,3-thiazole
CID 102412162

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(4-dodecylthiophen-2-yl)tin?
The IUPAC name of tert-butyl-(4-dodecylthiophen-2-yl)tin (CID 141271946) is tert-butyl-(4-dodecylthiophen-2-yl)tin.
What is the SMILES notation for tert-butyl-(4-dodecylthiophen-2-yl)tin?
The canonical SMILES for tert-butyl-(4-dodecylthiophen-2-yl)tin is CCCCCCCCCCCCc1csc([Sn]C(C)(C)C)c1.
What is the InChIKey of tert-butyl-(4-dodecylthiophen-2-yl)tin?
The InChIKey is IFEQSDZWCJSEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27S.C4H9.Sn/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-14-17-15-16;1-4(2)3;/h13,15H,2-12H2,1H3;1-3H3;.
What are the key properties of tert-butyl-(4-dodecylthiophen-2-yl)tin?
tert-butyl-(4-dodecylthiophen-2-yl)tin has a molecular weight of 427.29 g/mol, XLogP of 6.76, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(4-dodecylthiophen-2-yl)tin is sourced from PubChem (CID 141271946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).