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

C15H30S — CID 89278254

IUPAC(Z,5R)-5-ethyl-7-ethylsulfanyl-5,7-dimethylnon-3-ene
SMILESCC/C=C\[C@](C)(CC)CC(C)(CC)SCC
InChIInChI=1S/C15H30S/c1-7-11-12-14(5,8-2)13-15(6,9-3)16-10-4/h11-12H,7-10,13H2,1-6H3/b12-11-/t14-,15?/m0/s1
InChIKeyCFDJHQHJUYHSKY-VNORQREZSA-N
MW242.47 g/mol
LogP5.68
Rot. Bonds8

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

(Z,5R)-5-ethyl-7-ethylsulfanyl-5,7-dimethylnon-3-ene (PubChem CID 89278254) has the molecular formula C15H30S and a molecular weight of 242.47 g/mol. Its IUPAC name is (Z,5R)-5-ethyl-7-ethylsulfanyl-5,7-dimethylnon-3-ene.

Molecular Properties

Compound Name(Z,5R)-5-ethyl-7-ethylsulfanyl-5,7-dimethylnon-3-ene
PubChem CID89278254
Molecular FormulaC15H30S
Molecular Weight242.47 g/mol
Exact Mass242.21
IUPAC Name(Z,5R)-5-ethyl-7-ethylsulfanyl-5,7-dimethylnon-3-ene
SMILESCC/C=C\[C@](C)(CC)CC(C)(CC)SCC
InChIInChI=1S/C15H30S/c1-7-11-12-14(5,8-2)13-15(6,9-3)16-10-4/h11-12H,7-10,13H2,1-6H3/b12-11-/t14-,15?/m0/s1
InChIKeyCFDJHQHJUYHSKY-VNORQREZSA-N
XLogP5.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.47
LogP ≤ 55.68
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-dimethylnon-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-dimethylnon-3-ene?
The IUPAC name of (Z,5R)-5-ethyl-7-ethylsulfanyl-5,7-dimethylnon-3-ene (CID 89278254) is (Z,5R)-5-ethyl-7-ethylsulfanyl-5,7-dimethylnon-3-ene.
What is the SMILES notation for (Z,5R)-5-ethyl-7-ethylsulfanyl-5,7-dimethylnon-3-ene?
The canonical SMILES for (Z,5R)-5-ethyl-7-ethylsulfanyl-5,7-dimethylnon-3-ene is CC/C=C\[C@](C)(CC)CC(C)(CC)SCC.
What is the InChIKey of (Z,5R)-5-ethyl-7-ethylsulfanyl-5,7-dimethylnon-3-ene?
The InChIKey is CFDJHQHJUYHSKY-VNORQREZSA-N. The full InChI is InChI=1S/C15H30S/c1-7-11-12-14(5,8-2)13-15(6,9-3)16-10-4/h11-12H,7-10,13H2,1-6H3/b12-11-/t14-,15?/m0/s1.
What are the key properties of (Z,5R)-5-ethyl-7-ethylsulfanyl-5,7-dimethylnon-3-ene?
(Z,5R)-5-ethyl-7-ethylsulfanyl-5,7-dimethylnon-3-ene has a molecular weight of 242.47 g/mol, XLogP of 5.68, 8 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-dimethylnon-3-ene is sourced from PubChem (CID 89278254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).