(6S)-2,6-dimethyl-9-methylsulfonylnon-2-ene

C12H24O2S — CID 22861490

IUPAC(6S)-2,6-dimethyl-9-methylsulfonylnon-2-ene
SMILESCC(C)=CCC[C@H](C)CCCS(C)(=O)=O
InChIInChI=1S/C12H24O2S/c1-11(2)7-5-8-12(3)9-6-10-15(4,13)14/h7,12H,5-6,8-10H2,1-4H3/t12-/m0/s1
InChIKeyPOFLOKMLBURRLA-LBPRGKRZSA-N
MW232.39 g/mol
LogP3.19
Rot. Bonds7

About (6S)-2,6-dimethyl-9-methylsulfonylnon-2-ene

(6S)-2,6-dimethyl-9-methylsulfonylnon-2-ene (PubChem CID 22861490) has the molecular formula C12H24O2S and a molecular weight of 232.39 g/mol. Its IUPAC name is (6S)-2,6-dimethyl-9-methylsulfonylnon-2-ene.

Molecular Properties

Compound Name(6S)-2,6-dimethyl-9-methylsulfonylnon-2-ene
PubChem CID22861490
Molecular FormulaC12H24O2S
Molecular Weight232.39 g/mol
Exact Mass232.15
IUPAC Name(6S)-2,6-dimethyl-9-methylsulfonylnon-2-ene
SMILESCC(C)=CCC[C@H](C)CCCS(C)(=O)=O
InChIInChI=1S/C12H24O2S/c1-11(2)7-5-8-12(3)9-6-10-15(4,13)14/h7,12H,5-6,8-10H2,1-4H3/t12-/m0/s1
InChIKeyPOFLOKMLBURRLA-LBPRGKRZSA-N
XLogP3.19
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (6S)-2,6-dimethyl-9-methylsulfonylnon-2-ene?
The IUPAC name of (6S)-2,6-dimethyl-9-methylsulfonylnon-2-ene (CID 22861490) is (6S)-2,6-dimethyl-9-methylsulfonylnon-2-ene.
What is the SMILES notation for (6S)-2,6-dimethyl-9-methylsulfonylnon-2-ene?
The canonical SMILES for (6S)-2,6-dimethyl-9-methylsulfonylnon-2-ene is CC(C)=CCC[C@H](C)CCCS(C)(=O)=O.
What is the InChIKey of (6S)-2,6-dimethyl-9-methylsulfonylnon-2-ene?
The InChIKey is POFLOKMLBURRLA-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H24O2S/c1-11(2)7-5-8-12(3)9-6-10-15(4,13)14/h7,12H,5-6,8-10H2,1-4H3/t12-/m0/s1.
What are the key properties of (6S)-2,6-dimethyl-9-methylsulfonylnon-2-ene?
(6S)-2,6-dimethyl-9-methylsulfonylnon-2-ene has a molecular weight of 232.39 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2,6-dimethyl-9-methylsulfonylnon-2-ene is sourced from PubChem (CID 22861490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).