(E)-3-ethyl-1-iodo-1-methylsulfanylhept-1-ene

C10H19IS — CID 12063455

IUPAC(E)-3-ethyl-1-iodo-1-methylsulfanylhept-1-ene
SMILESCCCCC(/C=C(/I)SC)CC
InChIInChI=1S/C10H19IS/c1-4-6-7-9(5-2)8-10(11)12-3/h8-9H,4-7H2,1-3H3/b10-8-
InChIKeyGDVQRUDBNPODRS-NTMALXAHSA-N
MW298.23 g/mol
LogP4.84
Rot. Bonds6

About (E)-3-ethyl-1-iodo-1-methylsulfanylhept-1-ene

(E)-3-ethyl-1-iodo-1-methylsulfanylhept-1-ene (PubChem CID 12063455) has the molecular formula C10H19IS and a molecular weight of 298.23 g/mol. Its IUPAC name is (E)-3-ethyl-1-iodo-1-methylsulfanylhept-1-ene.

Molecular Properties

Compound Name(E)-3-ethyl-1-iodo-1-methylsulfanylhept-1-ene
PubChem CID12063455
Molecular FormulaC10H19IS
Molecular Weight298.23 g/mol
Exact Mass298.03
IUPAC Name(E)-3-ethyl-1-iodo-1-methylsulfanylhept-1-ene
SMILESCCCCC(/C=C(/I)SC)CC
InChIInChI=1S/C10H19IS/c1-4-6-7-9(5-2)8-10(11)12-3/h8-9H,4-7H2,1-3H3/b10-8-
InChIKeyGDVQRUDBNPODRS-NTMALXAHSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-ethyl-1-iodo-1-methylsulfanylhept-1-ene?
The IUPAC name of (E)-3-ethyl-1-iodo-1-methylsulfanylhept-1-ene (CID 12063455) is (E)-3-ethyl-1-iodo-1-methylsulfanylhept-1-ene.
What is the SMILES notation for (E)-3-ethyl-1-iodo-1-methylsulfanylhept-1-ene?
The canonical SMILES for (E)-3-ethyl-1-iodo-1-methylsulfanylhept-1-ene is CCCCC(/C=C(/I)SC)CC.
What is the InChIKey of (E)-3-ethyl-1-iodo-1-methylsulfanylhept-1-ene?
The InChIKey is GDVQRUDBNPODRS-NTMALXAHSA-N. The full InChI is InChI=1S/C10H19IS/c1-4-6-7-9(5-2)8-10(11)12-3/h8-9H,4-7H2,1-3H3/b10-8-.
What are the key properties of (E)-3-ethyl-1-iodo-1-methylsulfanylhept-1-ene?
(E)-3-ethyl-1-iodo-1-methylsulfanylhept-1-ene has a molecular weight of 298.23 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-ethyl-1-iodo-1-methylsulfanylhept-1-ene is sourced from PubChem (CID 12063455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).