6-(1-methylsulfonylethyl)non-1-ene

C12H24O2S — CID 89023044

IUPAC6-(1-methylsulfonylethyl)non-1-ene
SMILESC=CCCCC(CCC)C(C)S(C)(=O)=O
InChIInChI=1S/C12H24O2S/c1-5-7-8-10-12(9-6-2)11(3)15(4,13)14/h5,11-12H,1,6-10H2,2-4H3
InChIKeyOGNFPPDCBWWBQW-UHFFFAOYSA-N
MW232.39 g/mol
LogP3.19
Rot. Bonds8

About 6-(1-methylsulfonylethyl)non-1-ene

6-(1-methylsulfonylethyl)non-1-ene (PubChem CID 89023044) has the molecular formula C12H24O2S and a molecular weight of 232.39 g/mol. Its IUPAC name is 6-(1-methylsulfonylethyl)non-1-ene.

Molecular Properties

Compound Name6-(1-methylsulfonylethyl)non-1-ene
PubChem CID89023044
Molecular FormulaC12H24O2S
Molecular Weight232.39 g/mol
Exact Mass232.15
IUPAC Name6-(1-methylsulfonylethyl)non-1-ene
SMILESC=CCCCC(CCC)C(C)S(C)(=O)=O
InChIInChI=1S/C12H24O2S/c1-5-7-8-10-12(9-6-2)11(3)15(4,13)14/h5,11-12H,1,6-10H2,2-4H3
InChIKeyOGNFPPDCBWWBQW-UHFFFAOYSA-N
XLogP3.19
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

7,9-dimethyl-6-propyldodec-1-ene
CID 123995288
5,6-dipropyldec-1-ene
CID 123363407
4-[1-(3-propylhexan-2-ylsulfonyl)ethyl]heptane
CID 141263756
(4S)-non-8-en-4-amine
CID 10678342
(4R)-non-8-en-4-amine
CID 10796847
6-propyldec-1-ene
CID 22251175
2-methylsulfonylhept-6-en-3-ylhydrazine
CID 105311583
13-methylhexadec-1-ene
CID 71373615
12-propan-2-yltricosa-1,22-diene
CID 102161324
14,18,22-trimethylpentacos-1-ene
CID 91259502
6,7,8,9-tetramethyltetradec-1-ene
CID 57142635
2-propylhept-6-en-1-amine
CID 87481724

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylsulfonylethyl)non-1-ene?
The IUPAC name of 6-(1-methylsulfonylethyl)non-1-ene (CID 89023044) is 6-(1-methylsulfonylethyl)non-1-ene.
What is the SMILES notation for 6-(1-methylsulfonylethyl)non-1-ene?
The canonical SMILES for 6-(1-methylsulfonylethyl)non-1-ene is C=CCCCC(CCC)C(C)S(C)(=O)=O.
What is the InChIKey of 6-(1-methylsulfonylethyl)non-1-ene?
The InChIKey is OGNFPPDCBWWBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2S/c1-5-7-8-10-12(9-6-2)11(3)15(4,13)14/h5,11-12H,1,6-10H2,2-4H3.
What are the key properties of 6-(1-methylsulfonylethyl)non-1-ene?
6-(1-methylsulfonylethyl)non-1-ene has a molecular weight of 232.39 g/mol, XLogP of 3.19, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylsulfonylethyl)non-1-ene is sourced from PubChem (CID 89023044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).