2-Decyne

Details

• Internal ID: acd6cf01-c19b-44fd-a641-1ab9304c055c
• Taxonomy: Hydrocarbons > Unsaturated hydrocarbons > Acetylenes > Alkynes > Terminal alkynes
• IUPAC Name: dec-2-yne
• SMILES (Canonical): CCCCCCCC#CC
• SMILES (Isomeric): CCCCCCCC#CC
• InChI: InChI=1S/C10H18/c1-3-5-7-9-10-8-6-4-2/h3,5,7-10H2,1-2H3
• InChI Key: RWDDSTHSVISBEA-UHFFFAOYSA-N
• Popularity: 13 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₈
• Molecular Weight: 138.25 g/mol
• Exact Mass: 138.140850574 g/mol
• Topological Polar Surface Area (TPSA): 0.00 Ų
• XlogP: 4.60

Synonyms

• 2384-70-5
• dec-2-yne
• 2-C10H18
• DTXSID10178542
• RWDDSTHSVISBEA-UHFFFAOYSA-N
• MFCD00039993
• AKOS006229599
• D1187
• FT-0612138
• H11435

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL2955	O95136	Sphingosine 1-phosphate receptor Edg-5	95.04%	92.86%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	94.24%	92.08%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.25%	96.09%
CHEMBL2581	P07339	Cathepsin D	89.94%	98.95%
CHEMBL230	P35354	Cyclooxygenase-2	89.94%	89.63%
CHEMBL5043	Q6P179	Endoplasmic reticulum aminopeptidase 2	89.03%	91.81%
CHEMBL2265	P23141	Acyl coenzyme A:cholesterol acyltransferase	87.51%	85.94%
CHEMBL2885	P07451	Carbonic anhydrase III	87.00%	87.45%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	86.96%	97.29%
CHEMBL2996	Q05655	Protein kinase C delta	86.46%	97.79%
CHEMBL221	P23219	Cyclooxygenase-1	86.29%	90.17%
CHEMBL3060	Q9Y345	Glycine transporter 2	82.80%	99.17%
CHEMBL5979	P05186	Alkaline phosphatase, tissue-nonspecific isozyme	80.78%	85.40%

Plants that contains it

• Chrysanthemum morifolium

Cross-Links

• PubChem: 75424
• NPASS: NPC116996
• LOTUS: LTS0223479
• wikiData: Q83048982