(E)-1-butylsulfanyloct-1-ene

C12H24S — CID 13468729

IUPAC(E)-1-butylsulfanyloct-1-ene
SMILESCCCCCC/C=C/SCCCC
InChIInChI=1S/C12H24S/c1-3-5-7-8-9-10-12-13-11-6-4-2/h10,12H,3-9,11H2,1-2H3/b12-10+
InChIKeyHINNZOMLQNKNRS-ZRDIBKRKSA-N
MW200.39 g/mol
LogP5.00
Rot. Bonds9

About (E)-1-butylsulfanyloct-1-ene

(E)-1-butylsulfanyloct-1-ene (PubChem CID 13468729) has the molecular formula C12H24S and a molecular weight of 200.39 g/mol. Its IUPAC name is (E)-1-butylsulfanyloct-1-ene.

Molecular Properties

Compound Name(E)-1-butylsulfanyloct-1-ene
PubChem CID13468729
Molecular FormulaC12H24S
Molecular Weight200.39 g/mol
Exact Mass200.16
IUPAC Name(E)-1-butylsulfanyloct-1-ene
SMILESCCCCCC/C=C/SCCCC
InChIInChI=1S/C12H24S/c1-3-5-7-8-9-10-12-13-11-6-4-2/h10,12H,3-9,11H2,1-2H3/b12-10+
InChIKeyHINNZOMLQNKNRS-ZRDIBKRKSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-butylsulfanyloct-1-ene?
The IUPAC name of (E)-1-butylsulfanyloct-1-ene (CID 13468729) is (E)-1-butylsulfanyloct-1-ene.
What is the SMILES notation for (E)-1-butylsulfanyloct-1-ene?
The canonical SMILES for (E)-1-butylsulfanyloct-1-ene is CCCCCC/C=C/SCCCC.
What is the InChIKey of (E)-1-butylsulfanyloct-1-ene?
The InChIKey is HINNZOMLQNKNRS-ZRDIBKRKSA-N. The full InChI is InChI=1S/C12H24S/c1-3-5-7-8-9-10-12-13-11-6-4-2/h10,12H,3-9,11H2,1-2H3/b12-10+.
What are the key properties of (E)-1-butylsulfanyloct-1-ene?
(E)-1-butylsulfanyloct-1-ene has a molecular weight of 200.39 g/mol, XLogP of 5.00, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-butylsulfanyloct-1-ene is sourced from PubChem (CID 13468729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).