(Z,7S)-5-methyl-7-methylsulfanylnon-2-ene

C11H22S — CID 166865907

IUPAC(Z,7S)-5-methyl-7-methylsulfanylnon-2-ene
SMILESC/C=C\CC(C)C[C@H](CC)SC
InChIInChI=1S/C11H22S/c1-5-7-8-10(3)9-11(6-2)12-4/h5,7,10-11H,6,8-9H2,1-4H3/b7-5-/t10?,11-/m0/s1
InChIKeyCKTXJMJTDJBJDG-ZAKSEZKCSA-N
MW186.36 g/mol
LogP4.12
Rot. Bonds6

About (Z,7S)-5-methyl-7-methylsulfanylnon-2-ene

(Z,7S)-5-methyl-7-methylsulfanylnon-2-ene (PubChem CID 166865907) has the molecular formula C11H22S and a molecular weight of 186.36 g/mol. Its IUPAC name is (Z,7S)-5-methyl-7-methylsulfanylnon-2-ene.

Molecular Properties

Compound Name(Z,7S)-5-methyl-7-methylsulfanylnon-2-ene
PubChem CID166865907
Molecular FormulaC11H22S
Molecular Weight186.36 g/mol
Exact Mass186.14
IUPAC Name(Z,7S)-5-methyl-7-methylsulfanylnon-2-ene
SMILESC/C=C\CC(C)C[C@H](CC)SC
InChIInChI=1S/C11H22S/c1-5-7-8-10(3)9-11(6-2)12-4/h5,7,10-11H,6,8-9H2,1-4H3/b7-5-/t10?,11-/m0/s1
InChIKeyCKTXJMJTDJBJDG-ZAKSEZKCSA-N
XLogP4.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.36
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,7S)-5-methyl-7-methylsulfanylnon-2-ene?
The IUPAC name of (Z,7S)-5-methyl-7-methylsulfanylnon-2-ene (CID 166865907) is (Z,7S)-5-methyl-7-methylsulfanylnon-2-ene.
What is the SMILES notation for (Z,7S)-5-methyl-7-methylsulfanylnon-2-ene?
The canonical SMILES for (Z,7S)-5-methyl-7-methylsulfanylnon-2-ene is C/C=C\CC(C)C[C@H](CC)SC.
What is the InChIKey of (Z,7S)-5-methyl-7-methylsulfanylnon-2-ene?
The InChIKey is CKTXJMJTDJBJDG-ZAKSEZKCSA-N. The full InChI is InChI=1S/C11H22S/c1-5-7-8-10(3)9-11(6-2)12-4/h5,7,10-11H,6,8-9H2,1-4H3/b7-5-/t10?,11-/m0/s1.
What are the key properties of (Z,7S)-5-methyl-7-methylsulfanylnon-2-ene?
(Z,7S)-5-methyl-7-methylsulfanylnon-2-ene has a molecular weight of 186.36 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,7S)-5-methyl-7-methylsulfanylnon-2-ene is sourced from PubChem (CID 166865907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).