[(2S)-2-hydroxy-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate

C10H14O5 — CID 88713969

IUPAC[(2S)-2-hydroxy-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC[C@@H](O)OC(=O)C(=C)C
InChIInChI=1S/C10H14O5/c1-6(2)9(12)14-5-8(11)15-10(13)7(3)4/h8,11H,1,3,5H2,2,4H3/t8-/m0/s1
InChIKeyMNCXVUZFZDNYJU-QMMMGPOBSA-N
MW214.22 g/mol
LogP0.54
Rot. Bonds5

About [(2S)-2-hydroxy-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate

[(2S)-2-hydroxy-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate (PubChem CID 88713969) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is [(2S)-2-hydroxy-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[(2S)-2-hydroxy-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate
PubChem CID88713969
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name[(2S)-2-hydroxy-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC[C@@H](O)OC(=O)C(=C)C
InChIInChI=1S/C10H14O5/c1-6(2)9(12)14-5-8(11)15-10(13)7(3)4/h8,11H,1,3,5H2,2,4H3/t8-/m0/s1
InChIKeyMNCXVUZFZDNYJU-QMMMGPOBSA-N
XLogP0.54
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydroxybutyl 2-methylprop-2-enoate
CID 22149440
2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl 2-methylprop-2-enoate
CID 18762108
(1-hydroxy-2-trimethylsilylethyl) 2-methylprop-2-enoate
CID 54055275
[3-hydroxy-2-methyl-4-(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 19428941
2-hydroxypropyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 87196210
(2-hydroxy-3-methoxypropyl) 2-methylprop-2-enoate
CID 15315335
bis(ethane-1,2-diol);ethene;2-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate
CID 173326702
ethane-1,2-diol;[3-hydroxy-2-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
CID 22129264
[2-methyl-4-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate
CID 19428958
2,3-dimethylbutyl 2-methylprop-2-enoate
CID 18361655
[3-methoxy-2-(methoxymethyl)propyl] 2-methylprop-2-enoate
CID 58701380
triethyl(2-methylprop-2-enoyloxymethyl)phosphanium
CID 18683050

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-hydroxy-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate?
The IUPAC name of [(2S)-2-hydroxy-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate (CID 88713969) is [(2S)-2-hydroxy-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate.
What is the SMILES notation for [(2S)-2-hydroxy-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate?
The canonical SMILES for [(2S)-2-hydroxy-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC[C@@H](O)OC(=O)C(=C)C.
What is the InChIKey of [(2S)-2-hydroxy-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate?
The InChIKey is MNCXVUZFZDNYJU-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14O5/c1-6(2)9(12)14-5-8(11)15-10(13)7(3)4/h8,11H,1,3,5H2,2,4H3/t8-/m0/s1.
What are the key properties of [(2S)-2-hydroxy-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate?
[(2S)-2-hydroxy-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate has a molecular weight of 214.22 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-hydroxy-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate is sourced from PubChem (CID 88713969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).