(E)-1-ethylsulfanyl-2-iodooct-1-ene

C10H19IS — CID 125475940

IUPAC(E)-1-ethylsulfanyl-2-iodooct-1-ene
SMILESCCCCCC/C(I)=C\SCC
InChIInChI=1S/C10H19IS/c1-3-5-6-7-8-10(11)9-12-4-2/h9H,3-8H2,1-2H3/b10-9+
InChIKeyAQVBKSSNUDVOSG-MDZDMXLPSA-N
MW298.23 g/mol
LogP4.99
Rot. Bonds7

About (E)-1-ethylsulfanyl-2-iodooct-1-ene

(E)-1-ethylsulfanyl-2-iodooct-1-ene (PubChem CID 125475940) has the molecular formula C10H19IS and a molecular weight of 298.23 g/mol. Its IUPAC name is (E)-1-ethylsulfanyl-2-iodooct-1-ene.

Molecular Properties

Compound Name(E)-1-ethylsulfanyl-2-iodooct-1-ene
PubChem CID125475940
Molecular FormulaC10H19IS
Molecular Weight298.23 g/mol
Exact Mass298.03
IUPAC Name(E)-1-ethylsulfanyl-2-iodooct-1-ene
SMILESCCCCCC/C(I)=C\SCC
InChIInChI=1S/C10H19IS/c1-3-5-6-7-8-10(11)9-12-4-2/h9H,3-8H2,1-2H3/b10-9+
InChIKeyAQVBKSSNUDVOSG-MDZDMXLPSA-N
XLogP4.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-iodo-1-methylsulfanyloct-1-ene
CID 155665897
(Z)-1-iodo-3-methylsulfanylhept-1-ene
CID 11021942
(E)-3-tert-butylsulfanyl-1-iodooct-1-ene
CID 15323071
(E)-1-ethylsulfanyl-2-iodohex-1-ene
CID 102430742

Frequently Asked Questions

What is the IUPAC name of (E)-1-ethylsulfanyl-2-iodooct-1-ene?
The IUPAC name of (E)-1-ethylsulfanyl-2-iodooct-1-ene (CID 125475940) is (E)-1-ethylsulfanyl-2-iodooct-1-ene.
What is the SMILES notation for (E)-1-ethylsulfanyl-2-iodooct-1-ene?
The canonical SMILES for (E)-1-ethylsulfanyl-2-iodooct-1-ene is CCCCCC/C(I)=C\SCC.
What is the InChIKey of (E)-1-ethylsulfanyl-2-iodooct-1-ene?
The InChIKey is AQVBKSSNUDVOSG-MDZDMXLPSA-N. The full InChI is InChI=1S/C10H19IS/c1-3-5-6-7-8-10(11)9-12-4-2/h9H,3-8H2,1-2H3/b10-9+.
What are the key properties of (E)-1-ethylsulfanyl-2-iodooct-1-ene?
(E)-1-ethylsulfanyl-2-iodooct-1-ene has a molecular weight of 298.23 g/mol, XLogP of 4.99, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-ethylsulfanyl-2-iodooct-1-ene is sourced from PubChem (CID 125475940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).