tributyl-[(Z)-1-[(S)-(4-methylphenyl)sulfinyl]hex-1-enyl]stannane

C25H44OSSn — CID 10577652

IUPACtributyl-[(Z)-1-[(S)-(4-methylphenyl)sulfinyl]hex-1-enyl]stannane
SMILESCCCC/C=C(/[S@@](=O)c1ccc(C)cc1)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C13H17OS.3C4H9.Sn/c1-3-4-5-6-11-15(14)13-9-7-12(2)8-10-13;3*1-3-4-2;/h6-10H,3-5H2,1-2H3;3*1,3-4H2,2H3;/t15-;;;;/m1..../s1
InChIKeyKCPZMHIXPZEKQO-FKOXPEIHSA-N
MW511.40 g/mol
LogP8.57
Rot. Bonds15

About tributyl-[(Z)-1-[(S)-(4-methylphenyl)sulfinyl]hex-1-enyl]stannane

tributyl-[(Z)-1-[(S)-(4-methylphenyl)sulfinyl]hex-1-enyl]stannane (PubChem CID 10577652) has the molecular formula C25H44OSSn and a molecular weight of 511.40 g/mol. Its IUPAC name is tributyl-[(Z)-1-[(S)-(4-methylphenyl)sulfinyl]hex-1-enyl]stannane.

Molecular Properties

Compound Nametributyl-[(Z)-1-[(S)-(4-methylphenyl)sulfinyl]hex-1-enyl]stannane
PubChem CID10577652
Molecular FormulaC25H44OSSn
Molecular Weight511.40 g/mol
Exact Mass512.21
IUPAC Nametributyl-[(Z)-1-[(S)-(4-methylphenyl)sulfinyl]hex-1-enyl]stannane
SMILESCCCC/C=C(/[S@@](=O)c1ccc(C)cc1)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C13H17OS.3C4H9.Sn/c1-3-4-5-6-11-15(14)13-9-7-12(2)8-10-13;3*1-3-4-2;/h6-10H,3-5H2,1-2H3;3*1,3-4H2,2H3;/t15-;;;;/m1..../s1
InChIKeyKCPZMHIXPZEKQO-FKOXPEIHSA-N
XLogP8.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.40
LogP ≤ 58.57
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

tert-butyl-dimethyl-[(E)-4-[(S)-(4-methylphenyl)sulfinyl]-4-tributylstannylbut-3-enoxy]silane
CID 25139411
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[(Z)-1-(4-methylphenyl)sulfinylhept-1-enyl]-triphenylstannane
CID 177405788
(Z,1S)-2-(4-methylphenyl)sulfinyl-1-phenylhept-2-en-1-ol
CID 101210456
1-[(S)-[(Z)-1-fluoropent-1-enyl]sulfinyl]-4-methylbenzene
CID 10561226
1-[(S)-[(E)-1-fluoropent-1-enyl]sulfinyl]-4-methylbenzene
CID 10585341
(E)-3-methyl-1-[(S)-(4-methylphenyl)sulfinyl]dec-3-en-2-one
CID 51031978
[(E,3S)-4-[(S)-(4-methylphenyl)sulfinyl]non-4-en-3-yl] 2,2,2-trichloroethanimidate
CID 154723300
1-[(S)-[(E)-1-iodo-2-methylhex-1-enyl]sulfinyl]-4-methylbenzene
CID 10713647
1-methyl-4-[(R)-[(1E,3Z)-octa-1,3-dienyl]sulfinyl]benzene
CID 11118430
(Z,5S,8R)-8-ethyl-7-(4-methylphenyl)sulfinyldodec-6-en-5-ol
CID 102376299
(5R,6E,8E)-7-(4-methylphenyl)sulfinyldodeca-6,8-dien-5-ol
CID 102091567

Frequently Asked Questions

What is the IUPAC name of tributyl-[(Z)-1-[(S)-(4-methylphenyl)sulfinyl]hex-1-enyl]stannane?
The IUPAC name of tributyl-[(Z)-1-[(S)-(4-methylphenyl)sulfinyl]hex-1-enyl]stannane (CID 10577652) is tributyl-[(Z)-1-[(S)-(4-methylphenyl)sulfinyl]hex-1-enyl]stannane.
What is the SMILES notation for tributyl-[(Z)-1-[(S)-(4-methylphenyl)sulfinyl]hex-1-enyl]stannane?
The canonical SMILES for tributyl-[(Z)-1-[(S)-(4-methylphenyl)sulfinyl]hex-1-enyl]stannane is CCCC/C=C(/[S@@](=O)c1ccc(C)cc1)[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl-[(Z)-1-[(S)-(4-methylphenyl)sulfinyl]hex-1-enyl]stannane?
The InChIKey is KCPZMHIXPZEKQO-FKOXPEIHSA-N. The full InChI is InChI=1S/C13H17OS.3C4H9.Sn/c1-3-4-5-6-11-15(14)13-9-7-12(2)8-10-13;3*1-3-4-2;/h6-10H,3-5H2,1-2H3;3*1,3-4H2,2H3;/t15-;;;;/m1..../s1.
What are the key properties of tributyl-[(Z)-1-[(S)-(4-methylphenyl)sulfinyl]hex-1-enyl]stannane?
tributyl-[(Z)-1-[(S)-(4-methylphenyl)sulfinyl]hex-1-enyl]stannane has a molecular weight of 511.40 g/mol, XLogP of 8.57, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(Z)-1-[(S)-(4-methylphenyl)sulfinyl]hex-1-enyl]stannane is sourced from PubChem (CID 10577652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).