(2-hydroxy-3-prop-2-enoyloxypropyl) 2,2-dimethylpropanoate

C11H18O5 — CID 88553143

IUPAC(2-hydroxy-3-prop-2-enoyloxypropyl) 2,2-dimethylpropanoate
SMILESC=CC(=O)OCC(O)COC(=O)C(C)(C)C
InChIInChI=1S/C11H18O5/c1-5-9(13)15-6-8(12)7-16-10(14)11(2,3)4/h5,8,12H,1,6-7H2,2-4H3
InChIKeyPGLPTNQPUZQOMB-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.67
Rot. Bonds5

About (2-hydroxy-3-prop-2-enoyloxypropyl) 2,2-dimethylpropanoate

(2-hydroxy-3-prop-2-enoyloxypropyl) 2,2-dimethylpropanoate (PubChem CID 88553143) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is (2-hydroxy-3-prop-2-enoyloxypropyl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(2-hydroxy-3-prop-2-enoyloxypropyl) 2,2-dimethylpropanoate
PubChem CID88553143
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name(2-hydroxy-3-prop-2-enoyloxypropyl) 2,2-dimethylpropanoate
SMILESC=CC(=O)OCC(O)COC(=O)C(C)(C)C
InChIInChI=1S/C11H18O5/c1-5-9(13)15-6-8(12)7-16-10(14)11(2,3)4/h5,8,12H,1,6-7H2,2-4H3
InChIKeyPGLPTNQPUZQOMB-UHFFFAOYSA-N
XLogP0.67
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-hydroxy-3-prop-2-enoyloxypropyl) 2-tert-butyl-2,3,3-trimethylbutanoate
CID 123574852
(2-hydroxy-3-prop-2-enoyloxypropyl) 2-tert-butyl-2,4,4-trimethylpentanoate
CID 121290246
[(2S)-2-hydroxybutyl] prop-2-enoate
CID 141242121
[2-hydroxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoyloxypropoxy)propoxy]propyl] prop-2-enoate;methane
CID 158073431
(3-buta-1,3-dien-2-yloxy-2-hydroxypropyl) prop-2-enoate
CID 176752228
(3-bromo-2-hydroxypropyl) prop-2-enoate
CID 54425888
(2-hydroxy-3-sulfanylpropyl) prop-2-enoate
CID 90160037
(Z)-4-(2-hydroxy-3-prop-2-enoyloxypropoxy)-4-oxobut-2-enoic acid
CID 90382332
(4,4-difluoro-2,6-dihydroxy-7-prop-2-enoyloxyheptyl) prop-2-enoate
CID 155788262
(3-chloro-2-hydroxypropyl) prop-2-enoate;N,N-dimethylmethanamine
CID 87225254
(2-hydroxy-3-prop-2-enoyloxypropyl)-dimethylazanium iodide
CID 87218104
[2-hydroxy-3-[(Z)-1-hydroxy-2,3-dimethylbut-1-enoxy]propyl] prop-2-enoate
CID 173498844

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-prop-2-enoyloxypropyl) 2,2-dimethylpropanoate?
The IUPAC name of (2-hydroxy-3-prop-2-enoyloxypropyl) 2,2-dimethylpropanoate (CID 88553143) is (2-hydroxy-3-prop-2-enoyloxypropyl) 2,2-dimethylpropanoate.
What is the SMILES notation for (2-hydroxy-3-prop-2-enoyloxypropyl) 2,2-dimethylpropanoate?
The canonical SMILES for (2-hydroxy-3-prop-2-enoyloxypropyl) 2,2-dimethylpropanoate is C=CC(=O)OCC(O)COC(=O)C(C)(C)C.
What is the InChIKey of (2-hydroxy-3-prop-2-enoyloxypropyl) 2,2-dimethylpropanoate?
The InChIKey is PGLPTNQPUZQOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5/c1-5-9(13)15-6-8(12)7-16-10(14)11(2,3)4/h5,8,12H,1,6-7H2,2-4H3.
What are the key properties of (2-hydroxy-3-prop-2-enoyloxypropyl) 2,2-dimethylpropanoate?
(2-hydroxy-3-prop-2-enoyloxypropyl) 2,2-dimethylpropanoate has a molecular weight of 230.26 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-prop-2-enoyloxypropyl) 2,2-dimethylpropanoate is sourced from PubChem (CID 88553143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).