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

C16H32SSe — CID 101266324

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

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

(Z)-2-butylselanyl-1-butylsulfanyloct-1-ene (PubChem CID 101266324) has the molecular formula C16H32SSe and a molecular weight of 335.46 g/mol. Its IUPAC name is (Z)-2-butylselanyl-1-butylsulfanyloct-1-ene.

Molecular Properties

Compound Name(Z)-2-butylselanyl-1-butylsulfanyloct-1-ene
PubChem CID101266324
Molecular FormulaC16H32SSe
Molecular Weight335.46 g/mol
Exact Mass336.14
IUPAC Name(Z)-2-butylselanyl-1-butylsulfanyloct-1-ene
SMILESCCCCCC/C(=C/SCCCC)[Se]CCCC
InChIInChI=1S/C16H32SSe/c1-4-7-10-11-12-16(18-14-9-6-3)15-17-13-8-5-2/h15H,4-14H2,1-3H3/b16-15-
InChIKeyQJPINWHLUFLOBQ-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'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-butylselanyl-1-butylsulfanyloct-1-ene?
The IUPAC name of (Z)-2-butylselanyl-1-butylsulfanyloct-1-ene (CID 101266324) is (Z)-2-butylselanyl-1-butylsulfanyloct-1-ene.
What is the SMILES notation for (Z)-2-butylselanyl-1-butylsulfanyloct-1-ene?
The canonical SMILES for (Z)-2-butylselanyl-1-butylsulfanyloct-1-ene is CCCCCC/C(=C/SCCCC)[Se]CCCC.
What is the InChIKey of (Z)-2-butylselanyl-1-butylsulfanyloct-1-ene?
The InChIKey is QJPINWHLUFLOBQ-NXVVXOECSA-N. The full InChI is InChI=1S/C16H32SSe/c1-4-7-10-11-12-16(18-14-9-6-3)15-17-13-8-5-2/h15H,4-14H2,1-3H3/b16-15-.
What are the key properties of (Z)-2-butylselanyl-1-butylsulfanyloct-1-ene?
(Z)-2-butylselanyl-1-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)-2-butylselanyl-1-butylsulfanyloct-1-ene is sourced from PubChem (CID 101266324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).