[5-[4-(5-dimethylstannylthiophen-2-yl)-2-hexoxy-5-methylphenyl]thiophen-2-yl]-trimethylstannane

C26H38OS2Sn2 — CID 157114286

IUPAC[5-[4-(5-dimethylstannylthiophen-2-yl)-2-hexoxy-5-methylphenyl]thiophen-2-yl]-trimethylstannane
SMILESCCCCCCOc1cc(-c2ccc([SnH](C)C)s2)c(C)cc1-c1ccc([Sn](C)(C)C)s1
InChIInChI=1S/C21H22OS2.5CH3.2Sn.H/c1-3-4-5-6-11-22-19-15-17(20-9-7-12-23-20)16(2)14-18(19)21-10-8-13-24-21;;;;;;;;/h7-10,14-15H,3-6,11H2,1-2H3;5*1H3;;;
InChIKeyYAWXHDQSNOVZOY-UHFFFAOYSA-N
MW668.14 g/mol
LogP7.65
Rot. Bonds10

About [5-[4-(5-dimethylstannylthiophen-2-yl)-2-hexoxy-5-methylphenyl]thiophen-2-yl]-trimethylstannane

[5-[4-(5-dimethylstannylthiophen-2-yl)-2-hexoxy-5-methylphenyl]thiophen-2-yl]-trimethylstannane (PubChem CID 157114286) has the molecular formula C26H38OS2Sn2 and a molecular weight of 668.14 g/mol. Its IUPAC name is [5-[4-(5-dimethylstannylthiophen-2-yl)-2-hexoxy-5-methylphenyl]thiophen-2-yl]-trimethylstannane.

Molecular Properties

Compound Name[5-[4-(5-dimethylstannylthiophen-2-yl)-2-hexoxy-5-methylphenyl]thiophen-2-yl]-trimethylstannane
PubChem CID157114286
Molecular FormulaC26H38OS2Sn2
Molecular Weight668.14 g/mol
Exact Mass670.04
IUPAC Name[5-[4-(5-dimethylstannylthiophen-2-yl)-2-hexoxy-5-methylphenyl]thiophen-2-yl]-trimethylstannane
SMILESCCCCCCOc1cc(-c2ccc([SnH](C)C)s2)c(C)cc1-c1ccc([Sn](C)(C)C)s1
InChIInChI=1S/C21H22OS2.5CH3.2Sn.H/c1-3-4-5-6-11-22-19-15-17(20-9-7-12-23-20)16(2)14-18(19)21-10-8-13-24-21;;;;;;;;/h7-10,14-15H,3-6,11H2,1-2H3;5*1H3;;;
InChIKeyYAWXHDQSNOVZOY-UHFFFAOYSA-N
XLogP7.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.14
LogP ≤ 57.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-hexa-1,3,5-triynoxy-5-hexoxy-4-(5-methylthiophen-2-yl)phenyl]-5-methylthiophene;2-methyl-5-[4-(5-methylthiophen-2-yl)-2-octa-1,3,5,7-tetraynoxy-5-octoxyphenyl]thiophene
CID 90974840
2-[2-deca-1,3,5,7,9-pentaynoxy-5-decoxy-4-(5-methylthiophen-2-yl)phenyl]-5-methylthiophene;2-methyl-5-[4-(5-methylthiophen-2-yl)-2-octa-1,3,5,7-tetraynoxy-5-octoxyphenyl]thiophene
CID 90873107
[5-(5-icosylthiophen-2-yl)thiophen-2-yl]-trimethylstannane
CID 24744286
10-[4-[10-formyl-7,7-bis(4-hexylphenyl)-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-5-hexoxy-2-methylphenyl]-7,7-bis(4-hexylphenyl)-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-4-carbaldehyde
CID 159909559
4-[5-(2,4-dihexoxyphenyl)thiophen-2-yl]-2-[4-[5-(2,4-dihexoxyphenyl)thiophen-2-yl]-2-pyridinyl]pyridine
CID 90097158
2-(1,5-didecoxy-6-methylnaphthalen-2-yl)-5-(5-methylthiophen-2-yl)thiophene
CID 121308594
1,4-diheptoxy-2,5-dimethylbenzene
CID 59184182
2-[5-[2-deca-1,3,5,7,9-pentaynoxy-5-decoxy-4-[5-(3-decyl-5-methylthiophen-2-yl)thiophen-2-yl]phenyl]thiophen-2-yl]-3-decyl-5-methylthiophene;5-methyl-2-[5-[4-[5-(5-methyl-3-octylthiophen-2-yl)thiophen-2-yl]-2-octa-1,3,5,7-tetraynoxy-5-octoxyphenyl]thiophen-2-yl]-3-octylthiophene
CID 91083523
2-[5-[2-hexa-1,3,5-triynoxy-5-hexoxy-4-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]phenyl]thiophen-2-yl]-3-hexyl-5-methylthiophene
CID 23576559
3-decoxy-4-methylthiophene
CID 86002875
1,2,4,5-tetrakis-decoxybenzene
CID 10556791
5-(2,5-dihexoxy-4-methylphenyl)-3-[2-(2-methoxyethoxy)ethoxymethyl]-2-methylthiophene
CID 59287922

Frequently Asked Questions

What is the IUPAC name of [5-[4-(5-dimethylstannylthiophen-2-yl)-2-hexoxy-5-methylphenyl]thiophen-2-yl]-trimethylstannane?
The IUPAC name of [5-[4-(5-dimethylstannylthiophen-2-yl)-2-hexoxy-5-methylphenyl]thiophen-2-yl]-trimethylstannane (CID 157114286) is [5-[4-(5-dimethylstannylthiophen-2-yl)-2-hexoxy-5-methylphenyl]thiophen-2-yl]-trimethylstannane.
What is the SMILES notation for [5-[4-(5-dimethylstannylthiophen-2-yl)-2-hexoxy-5-methylphenyl]thiophen-2-yl]-trimethylstannane?
The canonical SMILES for [5-[4-(5-dimethylstannylthiophen-2-yl)-2-hexoxy-5-methylphenyl]thiophen-2-yl]-trimethylstannane is CCCCCCOc1cc(-c2ccc([SnH](C)C)s2)c(C)cc1-c1ccc([Sn](C)(C)C)s1.
What is the InChIKey of [5-[4-(5-dimethylstannylthiophen-2-yl)-2-hexoxy-5-methylphenyl]thiophen-2-yl]-trimethylstannane?
The InChIKey is YAWXHDQSNOVZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22OS2.5CH3.2Sn.H/c1-3-4-5-6-11-22-19-15-17(20-9-7-12-23-20)16(2)14-18(19)21-10-8-13-24-21;;;;;;;;/h7-10,14-15H,3-6,11H2,1-2H3;5*1H3;;;.
What are the key properties of [5-[4-(5-dimethylstannylthiophen-2-yl)-2-hexoxy-5-methylphenyl]thiophen-2-yl]-trimethylstannane?
[5-[4-(5-dimethylstannylthiophen-2-yl)-2-hexoxy-5-methylphenyl]thiophen-2-yl]-trimethylstannane has a molecular weight of 668.14 g/mol, XLogP of 7.65, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(5-dimethylstannylthiophen-2-yl)-2-hexoxy-5-methylphenyl]thiophen-2-yl]-trimethylstannane is sourced from PubChem (CID 157114286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).