butane;1-ethenyl-4-[(E)-1-prop-1-en-2-ylsulfanylprop-1-en-2-yl]benzene

C18H26S — CID 142853948

IUPACbutane;1-ethenyl-4-[(E)-1-prop-1-en-2-ylsulfanylprop-1-en-2-yl]benzene
SMILESC=Cc1ccc(/C(C)=C/SC(=C)C)cc1.CCCC
InChIInChI=1S/C14H16S.C4H10/c1-5-13-6-8-14(9-7-13)12(4)10-15-11(2)3;1-3-4-2/h5-10H,1-2H2,3-4H3;3-4H2,1-2H3/b12-10+;
InChIKeyISYRSUUSMLGXJW-VHPXAQPISA-N
MW274.47 g/mol
LogP6.76
Rot. Bonds5

About butane;1-ethenyl-4-[(E)-1-prop-1-en-2-ylsulfanylprop-1-en-2-yl]benzene

butane;1-ethenyl-4-[(E)-1-prop-1-en-2-ylsulfanylprop-1-en-2-yl]benzene (PubChem CID 142853948) has the molecular formula C18H26S and a molecular weight of 274.47 g/mol. Its IUPAC name is butane;1-ethenyl-4-[(E)-1-prop-1-en-2-ylsulfanylprop-1-en-2-yl]benzene.

Molecular Properties

Compound Namebutane;1-ethenyl-4-[(E)-1-prop-1-en-2-ylsulfanylprop-1-en-2-yl]benzene
PubChem CID142853948
Molecular FormulaC18H26S
Molecular Weight274.47 g/mol
Exact Mass274.18
IUPAC Namebutane;1-ethenyl-4-[(E)-1-prop-1-en-2-ylsulfanylprop-1-en-2-yl]benzene
SMILESC=Cc1ccc(/C(C)=C/SC(=C)C)cc1.CCCC
InChIInChI=1S/C14H16S.C4H10/c1-5-13-6-8-14(9-7-13)12(4)10-15-11(2)3;1-3-4-2/h5-10H,1-2H2,3-4H3;3-4H2,1-2H3/b12-10+;
InChIKeyISYRSUUSMLGXJW-VHPXAQPISA-N
XLogP6.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.47
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of butane;1-ethenyl-4-[(E)-1-prop-1-en-2-ylsulfanylprop-1-en-2-yl]benzene?
The IUPAC name of butane;1-ethenyl-4-[(E)-1-prop-1-en-2-ylsulfanylprop-1-en-2-yl]benzene (CID 142853948) is butane;1-ethenyl-4-[(E)-1-prop-1-en-2-ylsulfanylprop-1-en-2-yl]benzene.
What is the SMILES notation for butane;1-ethenyl-4-[(E)-1-prop-1-en-2-ylsulfanylprop-1-en-2-yl]benzene?
The canonical SMILES for butane;1-ethenyl-4-[(E)-1-prop-1-en-2-ylsulfanylprop-1-en-2-yl]benzene is C=Cc1ccc(/C(C)=C/SC(=C)C)cc1.CCCC.
What is the InChIKey of butane;1-ethenyl-4-[(E)-1-prop-1-en-2-ylsulfanylprop-1-en-2-yl]benzene?
The InChIKey is ISYRSUUSMLGXJW-VHPXAQPISA-N. The full InChI is InChI=1S/C14H16S.C4H10/c1-5-13-6-8-14(9-7-13)12(4)10-15-11(2)3;1-3-4-2/h5-10H,1-2H2,3-4H3;3-4H2,1-2H3/b12-10+;.
What are the key properties of butane;1-ethenyl-4-[(E)-1-prop-1-en-2-ylsulfanylprop-1-en-2-yl]benzene?
butane;1-ethenyl-4-[(E)-1-prop-1-en-2-ylsulfanylprop-1-en-2-yl]benzene has a molecular weight of 274.47 g/mol, XLogP of 6.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;1-ethenyl-4-[(E)-1-prop-1-en-2-ylsulfanylprop-1-en-2-yl]benzene is sourced from PubChem (CID 142853948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).