(E)-5-butylsulfanyl-3-methylnon-4-ene

C14H28S — CID 102371658

IUPAC(E)-5-butylsulfanyl-3-methylnon-4-ene
SMILESCCCCS/C(=C/C(C)CC)CCCC
InChIInChI=1S/C14H28S/c1-5-8-10-14(12-13(4)7-3)15-11-9-6-2/h12-13H,5-11H2,1-4H3/b14-12+
InChIKeyKBFJUTHEYOQROK-WYMLVPIESA-N
MW228.44 g/mol
LogP5.64
Rot. Bonds9

About (E)-5-butylsulfanyl-3-methylnon-4-ene

(E)-5-butylsulfanyl-3-methylnon-4-ene (PubChem CID 102371658) has the molecular formula C14H28S and a molecular weight of 228.44 g/mol. Its IUPAC name is (E)-5-butylsulfanyl-3-methylnon-4-ene.

Molecular Properties

Compound Name(E)-5-butylsulfanyl-3-methylnon-4-ene
PubChem CID102371658
Molecular FormulaC14H28S
Molecular Weight228.44 g/mol
Exact Mass228.19
IUPAC Name(E)-5-butylsulfanyl-3-methylnon-4-ene
SMILESCCCCS/C(=C/C(C)CC)CCCC
InChIInChI=1S/C14H28S/c1-5-8-10-14(12-13(4)7-3)15-11-9-6-2/h12-13H,5-11H2,1-4H3/b14-12+
InChIKeyKBFJUTHEYOQROK-WYMLVPIESA-N
XLogP5.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.44
LogP ≤ 55.64
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

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
(2E,6E)-3,7,11-trimethyl-1-propylsulfanyldodeca-2,6,10-triene
CID 71498425
5-Butyl-2,3-dihydrothiophene
CID 11062496
5-Methyl-2-propan-2-yl-2,3-dihydrothiophene
CID 12596207
(E)-1-methylsulfanyloct-3-ene
CID 14024902
3-Ethylthio-3-hexene
CID 15905675
1-Propenylpropylsulphide
CID 53869957
5-(2-Methylpropyl)-2,3-dihydrothiophene
CID 89105514
1-Butylsulfanylcyclopentene
CID 134985704
(2E,6E,10E)-2,6,10-trimethyl-1-methylsulfanyldodeca-2,6,10-triene
CID 155935613

Frequently Asked Questions

What is the IUPAC name of (E)-5-butylsulfanyl-3-methylnon-4-ene?
The IUPAC name of (E)-5-butylsulfanyl-3-methylnon-4-ene (CID 102371658) is (E)-5-butylsulfanyl-3-methylnon-4-ene.
What is the SMILES notation for (E)-5-butylsulfanyl-3-methylnon-4-ene?
The canonical SMILES for (E)-5-butylsulfanyl-3-methylnon-4-ene is CCCCS/C(=C/C(C)CC)CCCC.
What is the InChIKey of (E)-5-butylsulfanyl-3-methylnon-4-ene?
The InChIKey is KBFJUTHEYOQROK-WYMLVPIESA-N. The full InChI is InChI=1S/C14H28S/c1-5-8-10-14(12-13(4)7-3)15-11-9-6-2/h12-13H,5-11H2,1-4H3/b14-12+.
What are the key properties of (E)-5-butylsulfanyl-3-methylnon-4-ene?
(E)-5-butylsulfanyl-3-methylnon-4-ene has a molecular weight of 228.44 g/mol, XLogP of 5.64, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-butylsulfanyl-3-methylnon-4-ene is sourced from PubChem (CID 102371658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).