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

C12H24O2S — CID 22861489

IUPAC(6R)-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-/m1/s1
InChIKeyPOFLOKMLBURRLA-GFCCVEGCSA-N
MW232.39 g/mol
LogP3.19
Rot. Bonds7

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

(6R)-2,6-dimethyl-9-methylsulfonylnon-2-ene (PubChem CID 22861489) has the molecular formula C12H24O2S and a molecular weight of 232.39 g/mol. Its IUPAC name is (6R)-2,6-dimethyl-9-methylsulfonylnon-2-ene.

Molecular Properties

Compound Name(6R)-2,6-dimethyl-9-methylsulfonylnon-2-ene
PubChem CID22861489
Molecular FormulaC12H24O2S
Molecular Weight232.39 g/mol
Exact Mass232.15
IUPAC Name(6R)-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-/m1/s1
InChIKeyPOFLOKMLBURRLA-GFCCVEGCSA-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'}

Analyze (6R)-2,6-dimethyl-9-methylsulfonylnon-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Sodium p-menth-1-ene-7-sulfonate
CID 23709790
3,7-Dimethyloct-6-enyl(dimethyl)sulfanium;trifluoromethanesulfonate
CID 18786838
[3,7-Dimethyloct-6-enyl(dimethyl)-lambda4-sulfanyl] trifluoromethanesulfonate
CID 139683366
(Z,5S,6R)-2-fluoro-5-methyl-6-methylsulfonylhept-2-ene
CID 169998692
(3aE,6Z)-4-methyl-1,3,5,8,9,9a-hexahydrocycloocta[c]thiophene 2,2-dioxide
CID 11816692
Exo-7-methylsulfonylbicyclo[4.1.0]hept-2-ene
CID 129743623
trans-2-Vinyl-5-propenyl 3-methylsulfolane
CID 129811261
6-Methyl-2,4,5,6,7,7a-hexahydro-1-benzothiophene 1,1-dioxide
CID 15568359
3-(4-Methylpent-4-enyl)-2,5-dihydrothiophene 1,1-dioxide
CID 21762572
(E)-4-(2-methylsulfonylethyl)hept-3-ene
CID 90474647
4,4-dimethyl-3,3a,5,6-tetrahydro-1H-2-benzothiophene 2,2-dioxide
CID 15135754
2,3-Dipropyl-2,3-dihydrothiophene 1,1-dioxide
CID 20312635

Frequently Asked Questions

What is the IUPAC name of (6R)-2,6-dimethyl-9-methylsulfonylnon-2-ene?
The IUPAC name of (6R)-2,6-dimethyl-9-methylsulfonylnon-2-ene (CID 22861489) is (6R)-2,6-dimethyl-9-methylsulfonylnon-2-ene.
What is the SMILES notation for (6R)-2,6-dimethyl-9-methylsulfonylnon-2-ene?
The canonical SMILES for (6R)-2,6-dimethyl-9-methylsulfonylnon-2-ene is CC(C)=CCC[C@@H](C)CCCS(C)(=O)=O.
What is the InChIKey of (6R)-2,6-dimethyl-9-methylsulfonylnon-2-ene?
The InChIKey is POFLOKMLBURRLA-GFCCVEGCSA-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-/m1/s1.
What are the key properties of (6R)-2,6-dimethyl-9-methylsulfonylnon-2-ene?
(6R)-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 (6R)-2,6-dimethyl-9-methylsulfonylnon-2-ene is sourced from PubChem (CID 22861489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).