(E)-9-propylsulfanyldec-2-ene

C13H26S — CID 22172179

IUPAC(E)-9-propylsulfanyldec-2-ene
SMILESC/C=C/CCCCCC(C)SCCC
InChIInChI=1S/C13H26S/c1-4-6-7-8-9-10-11-13(3)14-12-5-2/h4,6,13H,5,7-12H2,1-3H3/b6-4+
InChIKeyKFDYHFSUADAWHI-GQCTYLIASA-N
MW214.42 g/mol
LogP5.04
Rot. Bonds9

About (E)-9-propylsulfanyldec-2-ene

(E)-9-propylsulfanyldec-2-ene (PubChem CID 22172179) has the molecular formula C13H26S and a molecular weight of 214.42 g/mol. Its IUPAC name is (E)-9-propylsulfanyldec-2-ene.

Molecular Properties

Compound Name(E)-9-propylsulfanyldec-2-ene
PubChem CID22172179
Molecular FormulaC13H26S
Molecular Weight214.42 g/mol
Exact Mass214.18
IUPAC Name(E)-9-propylsulfanyldec-2-ene
SMILESC/C=C/CCCCCC(C)SCCC
InChIInChI=1S/C13H26S/c1-4-6-7-8-9-10-11-13(3)14-12-5-2/h4,6,13H,5,7-12H2,1-3H3/b6-4+
InChIKeyKFDYHFSUADAWHI-GQCTYLIASA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500214.42
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-19-methyltricos-2-ene
CID 173194552
8-methyltridec-2-ene
CID 154258032
(Z)-icos-2-ene
CID 5352524
(E)-11-methyldodec-2-ene
CID 134687647
(2E,8Z)-pentadeca-2,8-diene
CID 173032001
octadeca-2,10-diene
CID 54270716
pentadeca-2,10-diene
CID 174048350
(Z)-oct-2-ene
CID 5356796
15,19-diethyltetracos-2-ene
CID 173194589
sodium;hydride;octadec-2-ene
CID 175594563
pentadeca-2,6-diene
CID 165019979
oct-2-ene;hydrochloride
CID 86744102

Frequently Asked Questions

What is the IUPAC name of (E)-9-propylsulfanyldec-2-ene?
The IUPAC name of (E)-9-propylsulfanyldec-2-ene (CID 22172179) is (E)-9-propylsulfanyldec-2-ene.
What is the SMILES notation for (E)-9-propylsulfanyldec-2-ene?
The canonical SMILES for (E)-9-propylsulfanyldec-2-ene is C/C=C/CCCCCC(C)SCCC.
What is the InChIKey of (E)-9-propylsulfanyldec-2-ene?
The InChIKey is KFDYHFSUADAWHI-GQCTYLIASA-N. The full InChI is InChI=1S/C13H26S/c1-4-6-7-8-9-10-11-13(3)14-12-5-2/h4,6,13H,5,7-12H2,1-3H3/b6-4+.
What are the key properties of (E)-9-propylsulfanyldec-2-ene?
(E)-9-propylsulfanyldec-2-ene has a molecular weight of 214.42 g/mol, XLogP of 5.04, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-9-propylsulfanyldec-2-ene is sourced from PubChem (CID 22172179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).