(Z)-1-iodo-1-methylsulfanyloct-1-ene

C9H17IS — CID 155665897

IUPAC(Z)-1-iodo-1-methylsulfanyloct-1-ene
SMILESCCCCCC/C=C(\I)SC
InChIInChI=1S/C9H17IS/c1-3-4-5-6-7-8-9(10)11-2/h8H,3-7H2,1-2H3/b9-8+
InChIKeyGUMSVNKMBGOSTH-CMDGGOBGSA-N
MW284.21 g/mol
LogP4.60
Rot. Bonds6

About (Z)-1-iodo-1-methylsulfanyloct-1-ene

(Z)-1-iodo-1-methylsulfanyloct-1-ene (PubChem CID 155665897) has the molecular formula C9H17IS and a molecular weight of 284.21 g/mol. Its IUPAC name is (Z)-1-iodo-1-methylsulfanyloct-1-ene.

Molecular Properties

Compound Name(Z)-1-iodo-1-methylsulfanyloct-1-ene
PubChem CID155665897
Molecular FormulaC9H17IS
Molecular Weight284.21 g/mol
Exact Mass284.01
IUPAC Name(Z)-1-iodo-1-methylsulfanyloct-1-ene
SMILESCCCCCC/C=C(\I)SC
InChIInChI=1S/C9H17IS/c1-3-4-5-6-7-8-9(10)11-2/h8H,3-7H2,1-2H3/b9-8+
InChIKeyGUMSVNKMBGOSTH-CMDGGOBGSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.21
LogP ≤ 54.60
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

(E)-1-iodo-1-methylsulfanylnon-1-ene
CID 12063454
(E)-3-ethyl-1-iodo-1-methylsulfanylhept-1-ene
CID 12063455
(Z)-1-iodo-1-methylsulfanylnon-1-ene
CID 134987243
(Z)-1-iodo-1-methylsulfanyltetradec-1-ene
CID 155665898
1-Iodo-1-methylsulfanyltetradec-1-ene
CID 175043885
CID 101181294
CID 101181294
(E)-1-ethylsulfanyl-2-iodooct-1-ene
CID 125475940
(Z)-3-ethyl-1-iodo-1-methylsulfanylhept-1-ene
CID 177426508

Frequently Asked Questions

What is the IUPAC name of (Z)-1-iodo-1-methylsulfanyloct-1-ene?
The IUPAC name of (Z)-1-iodo-1-methylsulfanyloct-1-ene (CID 155665897) is (Z)-1-iodo-1-methylsulfanyloct-1-ene.
What is the SMILES notation for (Z)-1-iodo-1-methylsulfanyloct-1-ene?
The canonical SMILES for (Z)-1-iodo-1-methylsulfanyloct-1-ene is CCCCCC/C=C(\I)SC.
What is the InChIKey of (Z)-1-iodo-1-methylsulfanyloct-1-ene?
The InChIKey is GUMSVNKMBGOSTH-CMDGGOBGSA-N. The full InChI is InChI=1S/C9H17IS/c1-3-4-5-6-7-8-9(10)11-2/h8H,3-7H2,1-2H3/b9-8+.
What are the key properties of (Z)-1-iodo-1-methylsulfanyloct-1-ene?
(Z)-1-iodo-1-methylsulfanyloct-1-ene has a molecular weight of 284.21 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-iodo-1-methylsulfanyloct-1-ene is sourced from PubChem (CID 155665897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).