(4S,5S)-4-methyl-5-methylsulfanylnon-1-ene

C11H22S — CID 135060143

IUPAC(4S,5S)-4-methyl-5-methylsulfanylnon-1-ene
SMILESC=CC[C@H](C)[C@H](CCCC)SC
InChIInChI=1S/C11H22S/c1-5-7-9-11(12-4)10(3)8-6-2/h6,10-11H,2,5,7-9H2,1,3-4H3/t10-,11-/m0/s1
InChIKeyBOMXOVLDHWOMSQ-QWRGUYRKSA-N
MW186.36 g/mol
LogP4.12
Rot. Bonds7

About (4S,5S)-4-methyl-5-methylsulfanylnon-1-ene

(4S,5S)-4-methyl-5-methylsulfanylnon-1-ene (PubChem CID 135060143) has the molecular formula C11H22S and a molecular weight of 186.36 g/mol. Its IUPAC name is (4S,5S)-4-methyl-5-methylsulfanylnon-1-ene.

Molecular Properties

Compound Name(4S,5S)-4-methyl-5-methylsulfanylnon-1-ene
PubChem CID135060143
Molecular FormulaC11H22S
Molecular Weight186.36 g/mol
Exact Mass186.14
IUPAC Name(4S,5S)-4-methyl-5-methylsulfanylnon-1-ene
SMILESC=CC[C@H](C)[C@H](CCCC)SC
InChIInChI=1S/C11H22S/c1-5-7-9-11(12-4)10(3)8-6-2/h6,10-11H,2,5,7-9H2,1,3-4H3/t10-,11-/m0/s1
InChIKeyBOMXOVLDHWOMSQ-QWRGUYRKSA-N
XLogP4.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
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 (4S,5S)-4-methyl-5-methylsulfanylnon-1-ene?
The IUPAC name of (4S,5S)-4-methyl-5-methylsulfanylnon-1-ene (CID 135060143) is (4S,5S)-4-methyl-5-methylsulfanylnon-1-ene.
What is the SMILES notation for (4S,5S)-4-methyl-5-methylsulfanylnon-1-ene?
The canonical SMILES for (4S,5S)-4-methyl-5-methylsulfanylnon-1-ene is C=CC[C@H](C)[C@H](CCCC)SC.
What is the InChIKey of (4S,5S)-4-methyl-5-methylsulfanylnon-1-ene?
The InChIKey is BOMXOVLDHWOMSQ-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H22S/c1-5-7-9-11(12-4)10(3)8-6-2/h6,10-11H,2,5,7-9H2,1,3-4H3/t10-,11-/m0/s1.
What are the key properties of (4S,5S)-4-methyl-5-methylsulfanylnon-1-ene?
(4S,5S)-4-methyl-5-methylsulfanylnon-1-ene has a molecular weight of 186.36 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-methyl-5-methylsulfanylnon-1-ene is sourced from PubChem (CID 135060143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).