(E)-1-propylsulfanyldec-1-ene

C13H26S — CID 12977961

IUPAC(E)-1-propylsulfanyldec-1-ene
SMILESCCCCCCCC/C=C/SCCC
InChIInChI=1S/C13H26S/c1-3-5-6-7-8-9-10-11-13-14-12-4-2/h11,13H,3-10,12H2,1-2H3/b13-11+
InChIKeyZXTHPFBPUYZWTD-ACCUITESSA-N
MW214.42 g/mol
LogP5.39
Rot. Bonds10

About (E)-1-propylsulfanyldec-1-ene

(E)-1-propylsulfanyldec-1-ene (PubChem CID 12977961) has the molecular formula C13H26S and a molecular weight of 214.42 g/mol. Its IUPAC name is (E)-1-propylsulfanyldec-1-ene.

Molecular Properties

Compound Name(E)-1-propylsulfanyldec-1-ene
PubChem CID12977961
Molecular FormulaC13H26S
Molecular Weight214.42 g/mol
Exact Mass214.18
IUPAC Name(E)-1-propylsulfanyldec-1-ene
SMILESCCCCCCCC/C=C/SCCC
InChIInChI=1S/C13H26S/c1-3-5-6-7-8-9-10-11-13-14-12-4-2/h11,13H,3-10,12H2,1-2H3/b13-11+
InChIKeyZXTHPFBPUYZWTD-ACCUITESSA-N
XLogP5.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500214.42
LogP ≤ 55.39
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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Related Compounds

11-(Trifluoromethylsulfanyl)undec-1-ene
CID 141487430
2-Thionin
CID 12613681
2-Butylsulfanyloct-1-ene
CID 14952207
2-Butan-2-ylsulfanyloct-1-ene
CID 14952208
Dodecane, 1-(2-propenylthio)-
CID 10752713
1-Decylthioprop-2-ene
CID 10775022
6-Tert-butylsulfanylhex-1-ene
CID 12385582
(E)-1-methylsulfanyldodec-1-ene
CID 12593926
2-Heptyl-3,6-dihydro-2H-thiopyran
CID 14175376
2-Octyl-2,3-dihydrothiophene
CID 15482765
Decene mercaptan
CID 20397988
Dodecenyl methyl sulfoxide
CID 54427791

Frequently Asked Questions

What is the IUPAC name of (E)-1-propylsulfanyldec-1-ene?
The IUPAC name of (E)-1-propylsulfanyldec-1-ene (CID 12977961) is (E)-1-propylsulfanyldec-1-ene.
What is the SMILES notation for (E)-1-propylsulfanyldec-1-ene?
The canonical SMILES for (E)-1-propylsulfanyldec-1-ene is CCCCCCCC/C=C/SCCC.
What is the InChIKey of (E)-1-propylsulfanyldec-1-ene?
The InChIKey is ZXTHPFBPUYZWTD-ACCUITESSA-N. The full InChI is InChI=1S/C13H26S/c1-3-5-6-7-8-9-10-11-13-14-12-4-2/h11,13H,3-10,12H2,1-2H3/b13-11+.
What are the key properties of (E)-1-propylsulfanyldec-1-ene?
(E)-1-propylsulfanyldec-1-ene has a molecular weight of 214.42 g/mol, XLogP of 5.39, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-propylsulfanyldec-1-ene is sourced from PubChem (CID 12977961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).