2-dec-9-yn-2-yloxyacetic acid

C12H20O3 — CID 90708340

IUPAC2-dec-9-yn-2-yloxyacetic acid
SMILESC#CCCCCCCC(C)OCC(=O)O
InChIInChI=1S/C12H20O3/c1-3-4-5-6-7-8-9-11(2)15-10-12(13)14/h1,11H,4-10H2,2H3,(H,13,14)
InChIKeyDOOMXSPVRMRDEO-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.45
Rot. Bonds9

About 2-dec-9-yn-2-yloxyacetic acid

2-dec-9-yn-2-yloxyacetic acid (PubChem CID 90708340) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-dec-9-yn-2-yloxyacetic acid.

Molecular Properties

Compound Name2-dec-9-yn-2-yloxyacetic acid
PubChem CID90708340
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name2-dec-9-yn-2-yloxyacetic acid
SMILESC#CCCCCCCC(C)OCC(=O)O
InChIInChI=1S/C12H20O3/c1-3-4-5-6-7-8-9-11(2)15-10-12(13)14/h1,11H,4-10H2,2H3,(H,13,14)
InChIKeyDOOMXSPVRMRDEO-UHFFFAOYSA-N
XLogP2.45
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-hydroxydec-9-ynoic acid
CID 87721697
dodec-11-yn-2-ol
CID 14044485
non-8-yn-2-ol
CID 11275050
12-methyltridec-1-yne
CID 10921423
2-hex-5-ynoxyhexane
CID 54235991
carbonic acid;hept-6-yn-1-amine;bis(2-methylpropane)
CID 174059622
2-bromooctadec-17-ynoic acid
CID 102493434
2-(1-hydroxypropan-2-yloxy)acetic acid
CID 23129856
2-[(2R)-butan-2-yl]oxyacetic acid
CID 92979817
heptadec-16-ynoic acid
CID 5312626
N-methylnon-8-yn-2-amine
CID 91435283
(2R)-2-aminooct-7-ynoic acid
CID 87403836

Frequently Asked Questions

What is the IUPAC name of 2-dec-9-yn-2-yloxyacetic acid?
The IUPAC name of 2-dec-9-yn-2-yloxyacetic acid (CID 90708340) is 2-dec-9-yn-2-yloxyacetic acid.
What is the SMILES notation for 2-dec-9-yn-2-yloxyacetic acid?
The canonical SMILES for 2-dec-9-yn-2-yloxyacetic acid is C#CCCCCCCC(C)OCC(=O)O.
What is the InChIKey of 2-dec-9-yn-2-yloxyacetic acid?
The InChIKey is DOOMXSPVRMRDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-3-4-5-6-7-8-9-11(2)15-10-12(13)14/h1,11H,4-10H2,2H3,(H,13,14).
What are the key properties of 2-dec-9-yn-2-yloxyacetic acid?
2-dec-9-yn-2-yloxyacetic acid has a molecular weight of 212.29 g/mol, XLogP of 2.45, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dec-9-yn-2-yloxyacetic acid is sourced from PubChem (CID 90708340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).