(E)-5-(2-propylsulfanylethyl)dec-5-ene

C15H30S — CID 134843641

IUPAC(E)-5-(2-propylsulfanylethyl)dec-5-ene
SMILESCCCC/C=C(\CCCC)CCSCCC
InChIInChI=1S/C15H30S/c1-4-7-9-11-15(10-8-5-2)12-14-16-13-6-3/h11H,4-10,12-14H2,1-3H3/b15-11+
InChIKeyNGPCPZSQJJPSBK-RVDMUPIBSA-N
MW242.47 g/mol
LogP5.83
Rot. Bonds11

About (E)-5-(2-propylsulfanylethyl)dec-5-ene

(E)-5-(2-propylsulfanylethyl)dec-5-ene (PubChem CID 134843641) has the molecular formula C15H30S and a molecular weight of 242.47 g/mol. Its IUPAC name is (E)-5-(2-propylsulfanylethyl)dec-5-ene.

Molecular Properties

Compound Name(E)-5-(2-propylsulfanylethyl)dec-5-ene
PubChem CID134843641
Molecular FormulaC15H30S
Molecular Weight242.47 g/mol
Exact Mass242.21
IUPAC Name(E)-5-(2-propylsulfanylethyl)dec-5-ene
SMILESCCCC/C=C(\CCCC)CCSCCC
InChIInChI=1S/C15H30S/c1-4-7-9-11-15(10-8-5-2)12-14-16-13-6-3/h11H,4-10,12-14H2,1-3H3/b15-11+
InChIKeyNGPCPZSQJJPSBK-RVDMUPIBSA-N
XLogP5.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.47
LogP ≤ 55.83
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

2,6-Octadiene, 3,7-dimethyl-1-(methylthio)-, (2E)-
CID 6442043
2,6-Octadiene, 3,7-dimethyl-1-(methylthio)-, (2Z)-
CID 6442039
Dhwyccuuwkegof-uhfffaoysa-
CID 10920955
(1E)-1-(3-methylsulfanylpropylsulfanyl)cyclododecene
CID 5468236
(2E,6E)-3,7,11-trimethyl-1-propan-2-ylsulfanyldodeca-2,6,10-triene
CID 71498424
(2E,6E)-3,7,11-trimethyl-1-propylsulfanyldodeca-2,6,10-triene
CID 71498425
(1E)-12-methylene-1-(3-methylsulfanylpropylsulfanyl)cyclododecene
CID 5799390
7-Methyl-1,4-dithiaspiro[4.5]dec-6-ene
CID 11194768
2-Heptyl-3,6-dihydro-2H-thiopyran
CID 14175376
Butylthio-cyclooctene
CID 14269925
4,5-Dimethyl-2-n-heptyl-3,6-dihydro-2h-thiapyran
CID 15130803
1-(1-Pentylsulfanylethenyl)cyclohexene
CID 46909681

Frequently Asked Questions

What is the IUPAC name of (E)-5-(2-propylsulfanylethyl)dec-5-ene?
The IUPAC name of (E)-5-(2-propylsulfanylethyl)dec-5-ene (CID 134843641) is (E)-5-(2-propylsulfanylethyl)dec-5-ene.
What is the SMILES notation for (E)-5-(2-propylsulfanylethyl)dec-5-ene?
The canonical SMILES for (E)-5-(2-propylsulfanylethyl)dec-5-ene is CCCC/C=C(\CCCC)CCSCCC.
What is the InChIKey of (E)-5-(2-propylsulfanylethyl)dec-5-ene?
The InChIKey is NGPCPZSQJJPSBK-RVDMUPIBSA-N. The full InChI is InChI=1S/C15H30S/c1-4-7-9-11-15(10-8-5-2)12-14-16-13-6-3/h11H,4-10,12-14H2,1-3H3/b15-11+.
What are the key properties of (E)-5-(2-propylsulfanylethyl)dec-5-ene?
(E)-5-(2-propylsulfanylethyl)dec-5-ene has a molecular weight of 242.47 g/mol, XLogP of 5.83, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(2-propylsulfanylethyl)dec-5-ene is sourced from PubChem (CID 134843641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).