2-(2-methylprop-2-enoyloxy)ethyl 6-hydroxyhexanoate

C12H20O5 — CID 3020350

IUPAC2-(2-methylprop-2-enoyloxy)ethyl 6-hydroxyhexanoate
SMILESC=C(C)C(=O)OCCOC(=O)CCCCCO
InChIInChI=1S/C12H20O5/c1-10(2)12(15)17-9-8-16-11(14)6-4-3-5-7-13/h13H,1,3-9H2,2H3
InChIKeyIHYBDNMNEPKOEB-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.20
Rot. Bonds9

About 2-(2-methylprop-2-enoyloxy)ethyl 6-hydroxyhexanoate

2-(2-methylprop-2-enoyloxy)ethyl 6-hydroxyhexanoate (PubChem CID 3020350) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoyloxy)ethyl 6-hydroxyhexanoate.

Molecular Properties

Compound Name2-(2-methylprop-2-enoyloxy)ethyl 6-hydroxyhexanoate
PubChem CID3020350
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Name2-(2-methylprop-2-enoyloxy)ethyl 6-hydroxyhexanoate
SMILESC=C(C)C(=O)OCCOC(=O)CCCCCO
InChIInChI=1S/C12H20O5/c1-10(2)12(15)17-9-8-16-11(14)6-4-3-5-7-13/h13H,1,3-9H2,2H3
InChIKeyIHYBDNMNEPKOEB-UHFFFAOYSA-N
XLogP1.20
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enoyloxy)ethyl 6-hydroxyhexanoate?
The IUPAC name of 2-(2-methylprop-2-enoyloxy)ethyl 6-hydroxyhexanoate (CID 3020350) is 2-(2-methylprop-2-enoyloxy)ethyl 6-hydroxyhexanoate.
What is the SMILES notation for 2-(2-methylprop-2-enoyloxy)ethyl 6-hydroxyhexanoate?
The canonical SMILES for 2-(2-methylprop-2-enoyloxy)ethyl 6-hydroxyhexanoate is C=C(C)C(=O)OCCOC(=O)CCCCCO.
What is the InChIKey of 2-(2-methylprop-2-enoyloxy)ethyl 6-hydroxyhexanoate?
The InChIKey is IHYBDNMNEPKOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O5/c1-10(2)12(15)17-9-8-16-11(14)6-4-3-5-7-13/h13H,1,3-9H2,2H3.
What are the key properties of 2-(2-methylprop-2-enoyloxy)ethyl 6-hydroxyhexanoate?
2-(2-methylprop-2-enoyloxy)ethyl 6-hydroxyhexanoate has a molecular weight of 244.29 g/mol, XLogP of 1.20, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoyloxy)ethyl 6-hydroxyhexanoate is sourced from PubChem (CID 3020350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).