3-ethylsulfanylhex-3-ene

C8H16S — CID 15905675

IUPAC3-ethylsulfanylhex-3-ene
SMILESCCC=C(CC)SCC
InChIInChI=1S/C8H16S/c1-4-7-8(5-2)9-6-3/h7H,4-6H2,1-3H3
InChIKeyRMJRVIGPQGTZQE-UHFFFAOYSA-N
MW144.28 g/mol
LogP3.44
Rot. Bonds4

About 3-ethylsulfanylhex-3-ene

3-ethylsulfanylhex-3-ene (PubChem CID 15905675) has the molecular formula C8H16S and a molecular weight of 144.28 g/mol. Its IUPAC name is 3-ethylsulfanylhex-3-ene.

Molecular Properties

Compound Name3-ethylsulfanylhex-3-ene
PubChem CID15905675
Molecular FormulaC8H16S
Molecular Weight144.28 g/mol
Exact Mass144.10
IUPAC Name3-ethylsulfanylhex-3-ene
SMILESCCC=C(CC)SCC
InChIInChI=1S/C8H16S/c1-4-7-8(5-2)9-6-3/h7H,4-6H2,1-3H3
InChIKeyRMJRVIGPQGTZQE-UHFFFAOYSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.28
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanylhex-3-ene?
The IUPAC name of 3-ethylsulfanylhex-3-ene (CID 15905675) is 3-ethylsulfanylhex-3-ene.
What is the SMILES notation for 3-ethylsulfanylhex-3-ene?
The canonical SMILES for 3-ethylsulfanylhex-3-ene is CCC=C(CC)SCC.
What is the InChIKey of 3-ethylsulfanylhex-3-ene?
The InChIKey is RMJRVIGPQGTZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16S/c1-4-7-8(5-2)9-6-3/h7H,4-6H2,1-3H3.
What are the key properties of 3-ethylsulfanylhex-3-ene?
3-ethylsulfanylhex-3-ene has a molecular weight of 144.28 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanylhex-3-ene is sourced from PubChem (CID 15905675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).