methyl 2-prop-2-enoxyhexanoate

C10H18O3 — CID 23243230

IUPACmethyl 2-prop-2-enoxyhexanoate
SMILESC=CCOC(CCCC)C(=O)OC
InChIInChI=1S/C10H18O3/c1-4-6-7-9(10(11)12-3)13-8-5-2/h5,9H,2,4,6-8H2,1,3H3
InChIKeyOZQLVUAFRLKKIF-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.92
Rot. Bonds7

About methyl 2-prop-2-enoxyhexanoate

methyl 2-prop-2-enoxyhexanoate (PubChem CID 23243230) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is methyl 2-prop-2-enoxyhexanoate.

Molecular Properties

Compound Namemethyl 2-prop-2-enoxyhexanoate
PubChem CID23243230
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Namemethyl 2-prop-2-enoxyhexanoate
SMILESC=CCOC(CCCC)C(=O)OC
InChIInChI=1S/C10H18O3/c1-4-6-7-9(10(11)12-3)13-8-5-2/h5,9H,2,4,6-8H2,1,3H3
InChIKeyOZQLVUAFRLKKIF-UHFFFAOYSA-N
XLogP1.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-prop-2-enoxyhexanoate?
The IUPAC name of methyl 2-prop-2-enoxyhexanoate (CID 23243230) is methyl 2-prop-2-enoxyhexanoate.
What is the SMILES notation for methyl 2-prop-2-enoxyhexanoate?
The canonical SMILES for methyl 2-prop-2-enoxyhexanoate is C=CCOC(CCCC)C(=O)OC.
What is the InChIKey of methyl 2-prop-2-enoxyhexanoate?
The InChIKey is OZQLVUAFRLKKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-4-6-7-9(10(11)12-3)13-8-5-2/h5,9H,2,4,6-8H2,1,3H3.
What are the key properties of methyl 2-prop-2-enoxyhexanoate?
methyl 2-prop-2-enoxyhexanoate has a molecular weight of 186.25 g/mol, XLogP of 1.92, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-prop-2-enoxyhexanoate is sourced from PubChem (CID 23243230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).