[(E,3E)-3-(benzenesulfonylmethylidene)-5-methoxy-1-phenylpent-1-en-2-yl]-tributylstannane

C31H46O3SSn — CID 57326464

IUPAC[(E,3E)-3-(benzenesulfonylmethylidene)-5-methoxy-1-phenylpent-1-en-2-yl]-tributylstannane
SMILESCCCC[Sn](CCCC)(CCCC)C(=C/c1ccccc1)/C(=C/S(=O)(=O)c1ccccc1)CCOC
InChIInChI=1S/C19H19O3S.3C4H9.Sn/c1-22-15-14-18(13-12-17-8-4-2-5-9-17)16-23(20,21)19-10-6-3-7-11-19;3*1-3-4-2;/h2-12,16H,14-15H2,1H3;3*1,3-4H2,2H3;/b13-12?,18-16-;;;;
InChIKeyFGLDJACUZHZEMG-PDTOEZGLSA-N
MW617.48 g/mol
LogP8.85
Rot. Bonds17

About [(E,3E)-3-(benzenesulfonylmethylidene)-5-methoxy-1-phenylpent-1-en-2-yl]-tributylstannane

[(E,3E)-3-(benzenesulfonylmethylidene)-5-methoxy-1-phenylpent-1-en-2-yl]-tributylstannane (PubChem CID 57326464) has the molecular formula C31H46O3SSn and a molecular weight of 617.48 g/mol. Its IUPAC name is [(E,3E)-3-(benzenesulfonylmethylidene)-5-methoxy-1-phenylpent-1-en-2-yl]-tributylstannane.

Molecular Properties

Compound Name[(E,3E)-3-(benzenesulfonylmethylidene)-5-methoxy-1-phenylpent-1-en-2-yl]-tributylstannane
PubChem CID57326464
Molecular FormulaC31H46O3SSn
Molecular Weight617.48 g/mol
Exact Mass618.22
IUPAC Name[(E,3E)-3-(benzenesulfonylmethylidene)-5-methoxy-1-phenylpent-1-en-2-yl]-tributylstannane
SMILESCCCC[Sn](CCCC)(CCCC)C(=C/c1ccccc1)/C(=C/S(=O)(=O)c1ccccc1)CCOC
InChIInChI=1S/C19H19O3S.3C4H9.Sn/c1-22-15-14-18(13-12-17-8-4-2-5-9-17)16-23(20,21)19-10-6-3-7-11-19;3*1-3-4-2;/h2-12,16H,14-15H2,1H3;3*1,3-4H2,2H3;/b13-12?,18-16-;;;;
InChIKeyFGLDJACUZHZEMG-PDTOEZGLSA-N
XLogP8.85
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.48
LogP ≤ 58.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tributyl-[(E)-1-fluoro-2-phenylethenyl]stannane
CID 10862504
2-benzylidene-4-methoxybutanoic acid
CID 150039493
(Z)-3-(benzenesulfonyl)-2-(2-methoxyethoxymethyl)prop-2-enoic acid
CID 67726952
methyl (2Z)-2-benzylidene-4-methoxybutanoate
CID 122641210
(E)-3-(4-methoxyphenyl)-2-tributylstannylprop-2-enamide
CID 11178801
tributyl-[(E)-1-butyltellanyl-2-phenylethenyl]stannane
CID 10507405
trimethyl-[(1Z,3Z)-1-phenyl-2-tributylstannyldeca-1,3-dien-3-yl]silane
CID 177407305
[(Z)-2-phenyltellanylhex-1-enyl]sulfonylbenzene
CID 11373724
N-[(E)-1-(benzenesulfonyl)prop-1-en-2-yl]butan-1-amine
CID 6383965
[2-[(E)-2-phenyl-1-tributylstannylethenyl]phenyl]methanol
CID 12026187
tert-butyl-dimethyl-[(Z)-5-phenyl-4-tributylstannylpent-4-enoxy]silane
CID 177480372
trimethyl-[(1Z,3Z)-7-methyl-1-phenyl-2-tributylstannylocta-1,3-dien-3-yl]silane
CID 177423800

Frequently Asked Questions

What is the IUPAC name of [(E,3E)-3-(benzenesulfonylmethylidene)-5-methoxy-1-phenylpent-1-en-2-yl]-tributylstannane?
The IUPAC name of [(E,3E)-3-(benzenesulfonylmethylidene)-5-methoxy-1-phenylpent-1-en-2-yl]-tributylstannane (CID 57326464) is [(E,3E)-3-(benzenesulfonylmethylidene)-5-methoxy-1-phenylpent-1-en-2-yl]-tributylstannane.
What is the SMILES notation for [(E,3E)-3-(benzenesulfonylmethylidene)-5-methoxy-1-phenylpent-1-en-2-yl]-tributylstannane?
The canonical SMILES for [(E,3E)-3-(benzenesulfonylmethylidene)-5-methoxy-1-phenylpent-1-en-2-yl]-tributylstannane is CCCC[Sn](CCCC)(CCCC)C(=C/c1ccccc1)/C(=C/S(=O)(=O)c1ccccc1)CCOC.
What is the InChIKey of [(E,3E)-3-(benzenesulfonylmethylidene)-5-methoxy-1-phenylpent-1-en-2-yl]-tributylstannane?
The InChIKey is FGLDJACUZHZEMG-PDTOEZGLSA-N. The full InChI is InChI=1S/C19H19O3S.3C4H9.Sn/c1-22-15-14-18(13-12-17-8-4-2-5-9-17)16-23(20,21)19-10-6-3-7-11-19;3*1-3-4-2;/h2-12,16H,14-15H2,1H3;3*1,3-4H2,2H3;/b13-12?,18-16-;;;;.
What are the key properties of [(E,3E)-3-(benzenesulfonylmethylidene)-5-methoxy-1-phenylpent-1-en-2-yl]-tributylstannane?
[(E,3E)-3-(benzenesulfonylmethylidene)-5-methoxy-1-phenylpent-1-en-2-yl]-tributylstannane has a molecular weight of 617.48 g/mol, XLogP of 8.85, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,3E)-3-(benzenesulfonylmethylidene)-5-methoxy-1-phenylpent-1-en-2-yl]-tributylstannane is sourced from PubChem (CID 57326464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).