methyl 3-hydroxydec-5-ynoate

C11H18O3 — CID 10703111

IUPACmethyl 3-hydroxydec-5-ynoate
SMILESCCCCC#CCC(O)CC(=O)OC
InChIInChI=1S/C11H18O3/c1-3-4-5-6-7-8-10(12)9-11(13)14-2/h10,12H,3-5,8-9H2,1-2H3
InChIKeyGWKPWWGNUFHGLA-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.49
Rot. Bonds5

About methyl 3-hydroxydec-5-ynoate

methyl 3-hydroxydec-5-ynoate (PubChem CID 10703111) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is methyl 3-hydroxydec-5-ynoate.

Molecular Properties

Compound Namemethyl 3-hydroxydec-5-ynoate
PubChem CID10703111
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Namemethyl 3-hydroxydec-5-ynoate
SMILESCCCCC#CCC(O)CC(=O)OC
InChIInChI=1S/C11H18O3/c1-3-4-5-6-7-8-10(12)9-11(13)14-2/h10,12H,3-5,8-9H2,1-2H3
InChIKeyGWKPWWGNUFHGLA-UHFFFAOYSA-N
XLogP1.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.49
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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Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxydec-5-ynoate?
The IUPAC name of methyl 3-hydroxydec-5-ynoate (CID 10703111) is methyl 3-hydroxydec-5-ynoate.
What is the SMILES notation for methyl 3-hydroxydec-5-ynoate?
The canonical SMILES for methyl 3-hydroxydec-5-ynoate is CCCCC#CCC(O)CC(=O)OC.
What is the InChIKey of methyl 3-hydroxydec-5-ynoate?
The InChIKey is GWKPWWGNUFHGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-3-4-5-6-7-8-10(12)9-11(13)14-2/h10,12H,3-5,8-9H2,1-2H3.
What are the key properties of methyl 3-hydroxydec-5-ynoate?
methyl 3-hydroxydec-5-ynoate has a molecular weight of 198.26 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxydec-5-ynoate is sourced from PubChem (CID 10703111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).