[(E)-1-but-1-en-2-ylsulfanylprop-1-en-2-yl]cyclohexane

C13H22S — CID 155053623

IUPAC[(E)-1-but-1-en-2-ylsulfanylprop-1-en-2-yl]cyclohexane
SMILESC=C(CC)S/C=C(\C)C1CCCCC1
InChIInChI=1S/C13H22S/c1-4-12(3)14-10-11(2)13-8-6-5-7-9-13/h10,13H,3-9H2,1-2H3/b11-10+
InChIKeyBLUVUTVUFXOFJC-ZHACJKMWSA-N
MW210.39 g/mol
LogP5.13
Rot. Bonds4

About [(E)-1-but-1-en-2-ylsulfanylprop-1-en-2-yl]cyclohexane

[(E)-1-but-1-en-2-ylsulfanylprop-1-en-2-yl]cyclohexane (PubChem CID 155053623) has the molecular formula C13H22S and a molecular weight of 210.39 g/mol. Its IUPAC name is [(E)-1-but-1-en-2-ylsulfanylprop-1-en-2-yl]cyclohexane.

Molecular Properties

Compound Name[(E)-1-but-1-en-2-ylsulfanylprop-1-en-2-yl]cyclohexane
PubChem CID155053623
Molecular FormulaC13H22S
Molecular Weight210.39 g/mol
Exact Mass210.14
IUPAC Name[(E)-1-but-1-en-2-ylsulfanylprop-1-en-2-yl]cyclohexane
SMILESC=C(CC)S/C=C(\C)C1CCCCC1
InChIInChI=1S/C13H22S/c1-4-12(3)14-10-11(2)13-8-6-5-7-9-13/h10,13H,3-9H2,1-2H3/b11-10+
InChIKeyBLUVUTVUFXOFJC-ZHACJKMWSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.39
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(E)-1-but-1-en-2-ylsulfanylprop-1-en-2-yl]cyclohexane?
The IUPAC name of [(E)-1-but-1-en-2-ylsulfanylprop-1-en-2-yl]cyclohexane (CID 155053623) is [(E)-1-but-1-en-2-ylsulfanylprop-1-en-2-yl]cyclohexane.
What is the SMILES notation for [(E)-1-but-1-en-2-ylsulfanylprop-1-en-2-yl]cyclohexane?
The canonical SMILES for [(E)-1-but-1-en-2-ylsulfanylprop-1-en-2-yl]cyclohexane is C=C(CC)S/C=C(\C)C1CCCCC1.
What is the InChIKey of [(E)-1-but-1-en-2-ylsulfanylprop-1-en-2-yl]cyclohexane?
The InChIKey is BLUVUTVUFXOFJC-ZHACJKMWSA-N. The full InChI is InChI=1S/C13H22S/c1-4-12(3)14-10-11(2)13-8-6-5-7-9-13/h10,13H,3-9H2,1-2H3/b11-10+.
What are the key properties of [(E)-1-but-1-en-2-ylsulfanylprop-1-en-2-yl]cyclohexane?
[(E)-1-but-1-en-2-ylsulfanylprop-1-en-2-yl]cyclohexane has a molecular weight of 210.39 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-but-1-en-2-ylsulfanylprop-1-en-2-yl]cyclohexane is sourced from PubChem (CID 155053623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).