(E)-5-methyl-6-propylsulfanyldec-5-ene

C14H28S — CID 132579850

IUPAC(E)-5-methyl-6-propylsulfanyldec-5-ene
SMILESCCCC/C(C)=C(\CCCC)SCCC
InChIInChI=1S/C14H28S/c1-5-8-10-13(4)14(11-9-6-2)15-12-7-3/h5-12H2,1-4H3/b14-13+
InChIKeyLBRAVGZYRGEJHW-BUHFOSPRSA-N
MW228.44 g/mol
LogP5.78
Rot. Bonds9

About (E)-5-methyl-6-propylsulfanyldec-5-ene

(E)-5-methyl-6-propylsulfanyldec-5-ene (PubChem CID 132579850) has the molecular formula C14H28S and a molecular weight of 228.44 g/mol. Its IUPAC name is (E)-5-methyl-6-propylsulfanyldec-5-ene.

Molecular Properties

Compound Name(E)-5-methyl-6-propylsulfanyldec-5-ene
PubChem CID132579850
Molecular FormulaC14H28S
Molecular Weight228.44 g/mol
Exact Mass228.19
IUPAC Name(E)-5-methyl-6-propylsulfanyldec-5-ene
SMILESCCCC/C(C)=C(\CCCC)SCCC
InChIInChI=1S/C14H28S/c1-5-8-10-13(4)14(11-9-6-2)15-12-7-3/h5-12H2,1-4H3/b14-13+
InChIKeyLBRAVGZYRGEJHW-BUHFOSPRSA-N
XLogP5.78
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 ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Methylsulfanylpropylidenecyclohexane
CID 12397148
1,2,3,4-Tetramethyl-5-methylsulfanylcyclopenta-1,3-diene
CID 14064506
4,5-Dimethyl-2-n-heptyl-3,6-dihydro-2h-thiapyran
CID 15130803
5,6-dimethyl-3,4-dihydro-2H-thiopyran
CID 15709713
3-Hexyl-4-methyl-2,5-dihydrothiophene
CID 57702306
4-Methyl-2-pentyl-2,5-dihydrothiophene
CID 57702316
Thiocyclohexane, 4-isopropylidene
CID 68355606
InChI=1/C8H14S/c1-7-5-3-4-6-8(7)9-2/h3-6H2,1-2H
CID 5325879
3,4,6,6-Tetramethyl-2,5-dihydrothiopyran
CID 15697621
3-(4-Methylpent-3-enyl)-2,5-dihydrothiophene
CID 57037159
(E)-4-methyl-1-methylsulfanyloct-3-ene
CID 10986749
2-Cyclohexylidenethiolane
CID 11789613

Frequently Asked Questions

What is the IUPAC name of (E)-5-methyl-6-propylsulfanyldec-5-ene?
The IUPAC name of (E)-5-methyl-6-propylsulfanyldec-5-ene (CID 132579850) is (E)-5-methyl-6-propylsulfanyldec-5-ene.
What is the SMILES notation for (E)-5-methyl-6-propylsulfanyldec-5-ene?
The canonical SMILES for (E)-5-methyl-6-propylsulfanyldec-5-ene is CCCC/C(C)=C(\CCCC)SCCC.
What is the InChIKey of (E)-5-methyl-6-propylsulfanyldec-5-ene?
The InChIKey is LBRAVGZYRGEJHW-BUHFOSPRSA-N. The full InChI is InChI=1S/C14H28S/c1-5-8-10-13(4)14(11-9-6-2)15-12-7-3/h5-12H2,1-4H3/b14-13+.
What are the key properties of (E)-5-methyl-6-propylsulfanyldec-5-ene?
(E)-5-methyl-6-propylsulfanyldec-5-ene has a molecular weight of 228.44 g/mol, XLogP of 5.78, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-methyl-6-propylsulfanyldec-5-ene is sourced from PubChem (CID 132579850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).