(Z)-1-butylselanyl-2-butylsulfanyloct-1-ene

C16H32SSe — CID 11393518

IUPAC(Z)-1-butylselanyl-2-butylsulfanyloct-1-ene
SMILESCCCCCC/C(=C/[Se]CCCC)SCCCC
InChIInChI=1S/C16H32SSe/c1-4-7-10-11-12-16(17-13-8-5-2)15-18-14-9-6-3/h15H,4-14H2,1-3H3/b16-15-
InChIKeyIZNLCOMUMVDWBR-NXVVXOECSA-N
MW335.46 g/mol
LogP6.25
Rot. Bonds13

About (Z)-1-butylselanyl-2-butylsulfanyloct-1-ene

(Z)-1-butylselanyl-2-butylsulfanyloct-1-ene (PubChem CID 11393518) has the molecular formula C16H32SSe and a molecular weight of 335.46 g/mol. Its IUPAC name is (Z)-1-butylselanyl-2-butylsulfanyloct-1-ene.

Molecular Properties

Compound Name(Z)-1-butylselanyl-2-butylsulfanyloct-1-ene
PubChem CID11393518
Molecular FormulaC16H32SSe
Molecular Weight335.46 g/mol
Exact Mass336.14
IUPAC Name(Z)-1-butylselanyl-2-butylsulfanyloct-1-ene
SMILESCCCCCC/C(=C/[Se]CCCC)SCCCC
InChIInChI=1S/C16H32SSe/c1-4-7-10-11-12-16(17-13-8-5-2)15-18-14-9-6-3/h15H,4-14H2,1-3H3/b16-15-
InChIKeyIZNLCOMUMVDWBR-NXVVXOECSA-N
XLogP6.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.46
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-1-butylselanyl-2-butylsulfanyloct-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

Frequently Asked Questions

What is the IUPAC name of (Z)-1-butylselanyl-2-butylsulfanyloct-1-ene?
The IUPAC name of (Z)-1-butylselanyl-2-butylsulfanyloct-1-ene (CID 11393518) is (Z)-1-butylselanyl-2-butylsulfanyloct-1-ene.
What is the SMILES notation for (Z)-1-butylselanyl-2-butylsulfanyloct-1-ene?
The canonical SMILES for (Z)-1-butylselanyl-2-butylsulfanyloct-1-ene is CCCCCC/C(=C/[Se]CCCC)SCCCC.
What is the InChIKey of (Z)-1-butylselanyl-2-butylsulfanyloct-1-ene?
The InChIKey is IZNLCOMUMVDWBR-NXVVXOECSA-N. The full InChI is InChI=1S/C16H32SSe/c1-4-7-10-11-12-16(17-13-8-5-2)15-18-14-9-6-3/h15H,4-14H2,1-3H3/b16-15-.
What are the key properties of (Z)-1-butylselanyl-2-butylsulfanyloct-1-ene?
(Z)-1-butylselanyl-2-butylsulfanyloct-1-ene has a molecular weight of 335.46 g/mol, XLogP of 6.25, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-butylselanyl-2-butylsulfanyloct-1-ene is sourced from PubChem (CID 11393518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).