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

C10H19IS — CID 177426508

IUPAC(Z)-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-CSKARUKUSA-N
MW298.23 g/mol
LogP4.84
Rot. Bonds6

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

(Z)-3-ethyl-1-iodo-1-methylsulfanylhept-1-ene (PubChem CID 177426508) has the molecular formula C10H19IS and a molecular weight of 298.23 g/mol. Its IUPAC name is (Z)-3-ethyl-1-iodo-1-methylsulfanylhept-1-ene.

Molecular Properties

Compound Name(Z)-3-ethyl-1-iodo-1-methylsulfanylhept-1-ene
PubChem CID177426508
Molecular FormulaC10H19IS
Molecular Weight298.23 g/mol
Exact Mass298.03
IUPAC Name(Z)-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-CSKARUKUSA-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'}

Analyze (Z)-3-ethyl-1-iodo-1-methylsulfanylhept-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(Z)-2-iodo-2-methylsulfanylethenyl]cyclohexane
CID 134987328
(E)-3-ethyl-1-iodo-1-methylsulfanylhept-1-ene
CID 12063455
[(E)-2-iodo-2-methylsulfanylethenyl]cyclohexane
CID 12063458
(2-Iodo-2-methylsulfanylethenyl)cyclohexane
CID 85789582
(Z)-1-iodo-1-methylsulfanyloct-1-ene
CID 155665897
2-(2-Ethylhexyl)-5-iodo-2,3-dihydrothiophene
CID 175607315
CID 101181296
CID 101181296
CID 101181297
CID 101181297

Frequently Asked Questions

What is the IUPAC name of (Z)-3-ethyl-1-iodo-1-methylsulfanylhept-1-ene?
The IUPAC name of (Z)-3-ethyl-1-iodo-1-methylsulfanylhept-1-ene (CID 177426508) is (Z)-3-ethyl-1-iodo-1-methylsulfanylhept-1-ene.
What is the SMILES notation for (Z)-3-ethyl-1-iodo-1-methylsulfanylhept-1-ene?
The canonical SMILES for (Z)-3-ethyl-1-iodo-1-methylsulfanylhept-1-ene is CCCCC(/C=C(\I)SC)CC.
What is the InChIKey of (Z)-3-ethyl-1-iodo-1-methylsulfanylhept-1-ene?
The InChIKey is GDVQRUDBNPODRS-CSKARUKUSA-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 (Z)-3-ethyl-1-iodo-1-methylsulfanylhept-1-ene?
(Z)-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 (Z)-3-ethyl-1-iodo-1-methylsulfanylhept-1-ene is sourced from PubChem (CID 177426508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).