2-(2-methylprop-2-enoyloxy)ethyl 8-hydroxyoctanoate

C14H24O5 — CID 141150360

IUPAC2-(2-methylprop-2-enoyloxy)ethyl 8-hydroxyoctanoate
SMILESC=C(C)C(=O)OCCOC(=O)CCCCCCCO
InChIInChI=1S/C14H24O5/c1-12(2)14(17)19-11-10-18-13(16)8-6-4-3-5-7-9-15/h15H,1,3-11H2,2H3
InChIKeyIHOIGQCGGHLHTD-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.98
Rot. Bonds11

About 2-(2-methylprop-2-enoyloxy)ethyl 8-hydroxyoctanoate

2-(2-methylprop-2-enoyloxy)ethyl 8-hydroxyoctanoate (PubChem CID 141150360) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoyloxy)ethyl 8-hydroxyoctanoate.

Molecular Properties

Compound Name2-(2-methylprop-2-enoyloxy)ethyl 8-hydroxyoctanoate
PubChem CID141150360
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Name2-(2-methylprop-2-enoyloxy)ethyl 8-hydroxyoctanoate
SMILESC=C(C)C(=O)OCCOC(=O)CCCCCCCO
InChIInChI=1S/C14H24O5/c1-12(2)14(17)19-11-10-18-13(16)8-6-4-3-5-7-9-15/h15H,1,3-11H2,2H3
InChIKeyIHOIGQCGGHLHTD-UHFFFAOYSA-N
XLogP1.98
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.98
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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Related Compounds

methane;2-(2-methylprop-2-enoyloxy)ethyl 6-hydroxyhexanoate;2-prop-2-enoyloxyethyl 6-hydroxyhexanoate
CID 161182870
2-(2-methylprop-2-enoyloxy)ethyl docosanoate
CID 135130314
hexane-1,6-diol;9-(2-methylprop-2-enoyloxy)nonyl 2-methylprop-2-enoate
CID 90169594
2-(2-methylprop-2-enoyloxy)ethyl 6-(4-chlorobutanoyloxy)hexanoate
CID 102447588
6-[8-(2-methylprop-2-enoyloxy)octoxy]-6-oxohexanoic acid
CID 155658741
1-O-methyl 5-O-[2-(2-methylprop-2-enoyloxy)ethyl] pentanedioate
CID 19981207
2-(2-methylprop-2-enoyloxy)ethyl 7-cyanatoheptanoate
CID 129129906
2-methoxyethyl 18-hydroxyoctadecanoate
CID 54055898
4-hydroxybutyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate
CID 87803089
2-(2-methylprop-2-enoyloxy)ethyl 4-hydroxypent-4-enoate
CID 89274312
sodium 5-[2-(2-methylprop-2-enoyloxy)ethoxy]-5-oxopentanoate
CID 162317079
3-methylbutyl 6-(2-methylprop-2-enoyloxy)hexanoate
CID 134453301

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enoyloxy)ethyl 8-hydroxyoctanoate?
The IUPAC name of 2-(2-methylprop-2-enoyloxy)ethyl 8-hydroxyoctanoate (CID 141150360) is 2-(2-methylprop-2-enoyloxy)ethyl 8-hydroxyoctanoate.
What is the SMILES notation for 2-(2-methylprop-2-enoyloxy)ethyl 8-hydroxyoctanoate?
The canonical SMILES for 2-(2-methylprop-2-enoyloxy)ethyl 8-hydroxyoctanoate is C=C(C)C(=O)OCCOC(=O)CCCCCCCO.
What is the InChIKey of 2-(2-methylprop-2-enoyloxy)ethyl 8-hydroxyoctanoate?
The InChIKey is IHOIGQCGGHLHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O5/c1-12(2)14(17)19-11-10-18-13(16)8-6-4-3-5-7-9-15/h15H,1,3-11H2,2H3.
What are the key properties of 2-(2-methylprop-2-enoyloxy)ethyl 8-hydroxyoctanoate?
2-(2-methylprop-2-enoyloxy)ethyl 8-hydroxyoctanoate has a molecular weight of 272.34 g/mol, XLogP of 1.98, 11 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 8-hydroxyoctanoate is sourced from PubChem (CID 141150360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).