(E)-2-methyl-1-propylsulfanyloct-1-ene

C12H24S — CID 132579845

IUPAC(E)-2-methyl-1-propylsulfanyloct-1-ene
SMILESCCCCCC/C(C)=C/SCCC
InChIInChI=1S/C12H24S/c1-4-6-7-8-9-12(3)11-13-10-5-2/h11H,4-10H2,1-3H3/b12-11+
InChIKeyVAWXTKZCDGRQPC-VAWYXSNFSA-N
MW200.39 g/mol
LogP5.00
Rot. Bonds8

About (E)-2-methyl-1-propylsulfanyloct-1-ene

(E)-2-methyl-1-propylsulfanyloct-1-ene (PubChem CID 132579845) has the molecular formula C12H24S and a molecular weight of 200.39 g/mol. Its IUPAC name is (E)-2-methyl-1-propylsulfanyloct-1-ene.

Molecular Properties

Compound Name(E)-2-methyl-1-propylsulfanyloct-1-ene
PubChem CID132579845
Molecular FormulaC12H24S
Molecular Weight200.39 g/mol
Exact Mass200.16
IUPAC Name(E)-2-methyl-1-propylsulfanyloct-1-ene
SMILESCCCCCC/C(C)=C/SCCC
InChIInChI=1S/C12H24S/c1-4-6-7-8-9-12(3)11-13-10-5-2/h11H,4-10H2,1-3H3/b12-11+
InChIKeyVAWXTKZCDGRQPC-VAWYXSNFSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500200.39
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-2-methyl-1-propylsulfanyloct-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

2-Butylsulfanyloct-1-ene
CID 14952207
2-Butan-2-ylsulfanyloct-1-ene
CID 14952208
1-Methylidene-2-methylsulfanylcyclohexane
CID 14529195
2-Octyl-2,3-dihydrothiophene
CID 15482765
1,2-Epithio-3-hexyl-3-butene
CID 57702307
2-Methyl-3,4-epithio-1-nonene
CID 57702328
2-Methylsulfanylnon-1-ene
CID 85970218
(Z)-2-methyl-1-methylsulfanyloct-1-ene
CID 100956910
5-Octyl-2,3-dihydro-1,4-dithiine
CID 11020709
(E)-1-propylsulfanyldec-1-ene
CID 12977961
(E)-1-butylsulfanyloct-1-ene
CID 13468729
1-Methylidene-2-methylsulfanylcyclononane
CID 14529196

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-1-propylsulfanyloct-1-ene?
The IUPAC name of (E)-2-methyl-1-propylsulfanyloct-1-ene (CID 132579845) is (E)-2-methyl-1-propylsulfanyloct-1-ene.
What is the SMILES notation for (E)-2-methyl-1-propylsulfanyloct-1-ene?
The canonical SMILES for (E)-2-methyl-1-propylsulfanyloct-1-ene is CCCCCC/C(C)=C/SCCC.
What is the InChIKey of (E)-2-methyl-1-propylsulfanyloct-1-ene?
The InChIKey is VAWXTKZCDGRQPC-VAWYXSNFSA-N. The full InChI is InChI=1S/C12H24S/c1-4-6-7-8-9-12(3)11-13-10-5-2/h11H,4-10H2,1-3H3/b12-11+.
What are the key properties of (E)-2-methyl-1-propylsulfanyloct-1-ene?
(E)-2-methyl-1-propylsulfanyloct-1-ene has a molecular weight of 200.39 g/mol, XLogP of 5.00, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-1-propylsulfanyloct-1-ene is sourced from PubChem (CID 132579845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).