ethyl 2-hydroxydec-4-ynoate

C12H20O3 — CID 101225070

IUPACethyl 2-hydroxydec-4-ynoate
SMILESCCCCCC#CCC(O)C(=O)OCC
InChIInChI=1S/C12H20O3/c1-3-5-6-7-8-9-10-11(13)12(14)15-4-2/h11,13H,3-7,10H2,1-2H3
InChIKeyLMYYBGVIOSLTEE-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.88
Rot. Bonds6

About ethyl 2-hydroxydec-4-ynoate

ethyl 2-hydroxydec-4-ynoate (PubChem CID 101225070) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is ethyl 2-hydroxydec-4-ynoate.

Molecular Properties

Compound Nameethyl 2-hydroxydec-4-ynoate
PubChem CID101225070
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Nameethyl 2-hydroxydec-4-ynoate
SMILESCCCCCC#CCC(O)C(=O)OCC
InChIInChI=1S/C12H20O3/c1-3-5-6-7-8-9-10-11(13)12(14)15-4-2/h11,13H,3-7,10H2,1-2H3
InChIKeyLMYYBGVIOSLTEE-UHFFFAOYSA-N
XLogP1.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

ethyl undec-5-ynoate
CID 135056494
2-hydroxypentadeca-4,6-diynoic acid
CID 87615979
ethyl 2-hydroxyheptanoate
CID 12743783
ethyl (4R,5R,8R,9R)-4,5,8,9-tetrahydroxytricos-12-ynoate
CID 11812276
ethyl (2S)-2-hydroxytetracosanoate
CID 98049873
ethyl 2-hydroxy-16-methylicos-14-ynoate
CID 91501871
2-methoxyhexadec-4-ynoic acid
CID 71444531
2-aminodec-4-yn-1-ol
CID 170893246
carbonic acid;tetradec-7-yne
CID 90353944
ethyl 4-hydroxytetradec-5-ynoate
CID 19734178
ethyl 3-hydroxy-2-methylideneundec-4-ynoate
CID 11172462
ethyl acetate;(hexane)
CID 173056685

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxydec-4-ynoate?
The IUPAC name of ethyl 2-hydroxydec-4-ynoate (CID 101225070) is ethyl 2-hydroxydec-4-ynoate.
What is the SMILES notation for ethyl 2-hydroxydec-4-ynoate?
The canonical SMILES for ethyl 2-hydroxydec-4-ynoate is CCCCCC#CCC(O)C(=O)OCC.
What is the InChIKey of ethyl 2-hydroxydec-4-ynoate?
The InChIKey is LMYYBGVIOSLTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-3-5-6-7-8-9-10-11(13)12(14)15-4-2/h11,13H,3-7,10H2,1-2H3.
What are the key properties of ethyl 2-hydroxydec-4-ynoate?
ethyl 2-hydroxydec-4-ynoate has a molecular weight of 212.29 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxydec-4-ynoate is sourced from PubChem (CID 101225070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).