[(E)-oct-3-en-4-yl]sulfanylbenzene

C14H20S — CID 10922053

IUPAC[(E)-oct-3-en-4-yl]sulfanylbenzene
SMILESCC/C=C(\CCCC)Sc1ccccc1
InChIInChI=1S/C14H20S/c1-3-5-10-13(9-4-2)15-14-11-7-6-8-12-14/h6-9,11-12H,3-5,10H2,1-2H3/b13-9+
InChIKeyRMAGZRXICKNNHE-UKTHLTGXSA-N
MW220.38 g/mol
LogP5.26
Rot. Bonds6

About [(E)-oct-3-en-4-yl]sulfanylbenzene

[(E)-oct-3-en-4-yl]sulfanylbenzene (PubChem CID 10922053) has the molecular formula C14H20S and a molecular weight of 220.38 g/mol. Its IUPAC name is [(E)-oct-3-en-4-yl]sulfanylbenzene.

Molecular Properties

Compound Name[(E)-oct-3-en-4-yl]sulfanylbenzene
PubChem CID10922053
Molecular FormulaC14H20S
Molecular Weight220.38 g/mol
Exact Mass220.13
IUPAC Name[(E)-oct-3-en-4-yl]sulfanylbenzene
SMILESCC/C=C(\CCCC)Sc1ccccc1
InChIInChI=1S/C14H20S/c1-3-5-10-13(9-4-2)15-14-11-7-6-8-12-14/h6-9,11-12H,3-5,10H2,1-2H3/b13-9+
InChIKeyRMAGZRXICKNNHE-UKTHLTGXSA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.38
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(E)-oct-3-en-4-yl]sulfanylbenzene?
The IUPAC name of [(E)-oct-3-en-4-yl]sulfanylbenzene (CID 10922053) is [(E)-oct-3-en-4-yl]sulfanylbenzene.
What is the SMILES notation for [(E)-oct-3-en-4-yl]sulfanylbenzene?
The canonical SMILES for [(E)-oct-3-en-4-yl]sulfanylbenzene is CC/C=C(\CCCC)Sc1ccccc1.
What is the InChIKey of [(E)-oct-3-en-4-yl]sulfanylbenzene?
The InChIKey is RMAGZRXICKNNHE-UKTHLTGXSA-N. The full InChI is InChI=1S/C14H20S/c1-3-5-10-13(9-4-2)15-14-11-7-6-8-12-14/h6-9,11-12H,3-5,10H2,1-2H3/b13-9+.
What are the key properties of [(E)-oct-3-en-4-yl]sulfanylbenzene?
[(E)-oct-3-en-4-yl]sulfanylbenzene has a molecular weight of 220.38 g/mol, XLogP of 5.26, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-oct-3-en-4-yl]sulfanylbenzene is sourced from PubChem (CID 10922053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).