(Z,5R)-5-ethyl-7-ethylsulfanyl-5,7-dimethyloct-3-ene

C14H28S — CID 89278148

IUPAC(Z,5R)-5-ethyl-7-ethylsulfanyl-5,7-dimethyloct-3-ene
SMILESCC/C=C\[C@](C)(CC)CC(C)(C)SCC
InChIInChI=1S/C14H28S/c1-7-10-11-14(6,8-2)12-13(4,5)15-9-3/h10-11H,7-9,12H2,1-6H3/b11-10-/t14-/m0/s1
InChIKeyLIQNXUOEHLVNMX-BMSUMIBZSA-N
MW228.44 g/mol
LogP5.29
Rot. Bonds7

About (Z,5R)-5-ethyl-7-ethylsulfanyl-5,7-dimethyloct-3-ene

(Z,5R)-5-ethyl-7-ethylsulfanyl-5,7-dimethyloct-3-ene (PubChem CID 89278148) has the molecular formula C14H28S and a molecular weight of 228.44 g/mol. Its IUPAC name is (Z,5R)-5-ethyl-7-ethylsulfanyl-5,7-dimethyloct-3-ene.

Molecular Properties

Compound Name(Z,5R)-5-ethyl-7-ethylsulfanyl-5,7-dimethyloct-3-ene
PubChem CID89278148
Molecular FormulaC14H28S
Molecular Weight228.44 g/mol
Exact Mass228.19
IUPAC Name(Z,5R)-5-ethyl-7-ethylsulfanyl-5,7-dimethyloct-3-ene
SMILESCC/C=C\[C@](C)(CC)CC(C)(C)SCC
InChIInChI=1S/C14H28S/c1-7-10-11-14(6,8-2)12-13(4,5)15-9-3/h10-11H,7-9,12H2,1-6H3/b11-10-/t14-/m0/s1
InChIKeyLIQNXUOEHLVNMX-BMSUMIBZSA-N
XLogP5.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.44
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z,5R)-5-ethyl-7-ethylsulfanyl-5,7-dimethyloct-3-ene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z,5R)-5-ethyl-7-ethylsulfanyl-5,7-dimethyloct-3-ene?
The IUPAC name of (Z,5R)-5-ethyl-7-ethylsulfanyl-5,7-dimethyloct-3-ene (CID 89278148) is (Z,5R)-5-ethyl-7-ethylsulfanyl-5,7-dimethyloct-3-ene.
What is the SMILES notation for (Z,5R)-5-ethyl-7-ethylsulfanyl-5,7-dimethyloct-3-ene?
The canonical SMILES for (Z,5R)-5-ethyl-7-ethylsulfanyl-5,7-dimethyloct-3-ene is CC/C=C\[C@](C)(CC)CC(C)(C)SCC.
What is the InChIKey of (Z,5R)-5-ethyl-7-ethylsulfanyl-5,7-dimethyloct-3-ene?
The InChIKey is LIQNXUOEHLVNMX-BMSUMIBZSA-N. The full InChI is InChI=1S/C14H28S/c1-7-10-11-14(6,8-2)12-13(4,5)15-9-3/h10-11H,7-9,12H2,1-6H3/b11-10-/t14-/m0/s1.
What are the key properties of (Z,5R)-5-ethyl-7-ethylsulfanyl-5,7-dimethyloct-3-ene?
(Z,5R)-5-ethyl-7-ethylsulfanyl-5,7-dimethyloct-3-ene has a molecular weight of 228.44 g/mol, XLogP of 5.29, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,5R)-5-ethyl-7-ethylsulfanyl-5,7-dimethyloct-3-ene is sourced from PubChem (CID 89278148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).