1-(2-hydroxypropoxy)prop-1-enyl prop-2-enoate

C9H14O4 — CID 175902908

IUPAC1-(2-hydroxypropoxy)prop-1-enyl prop-2-enoate
SMILESC=CC(=O)OC(=CC)OCC(C)O
InChIInChI=1S/C9H14O4/c1-4-8(11)13-9(5-2)12-6-7(3)10/h4-5,7,10H,1,6H2,2-3H3
InChIKeyDPXXPAHXYGXTDL-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.97
Rot. Bonds5

About 1-(2-hydroxypropoxy)prop-1-enyl prop-2-enoate

1-(2-hydroxypropoxy)prop-1-enyl prop-2-enoate (PubChem CID 175902908) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is 1-(2-hydroxypropoxy)prop-1-enyl prop-2-enoate.

Molecular Properties

Compound Name1-(2-hydroxypropoxy)prop-1-enyl prop-2-enoate
PubChem CID175902908
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Name1-(2-hydroxypropoxy)prop-1-enyl prop-2-enoate
SMILESC=CC(=O)OC(=CC)OCC(C)O
InChIInChI=1S/C9H14O4/c1-4-8(11)13-9(5-2)12-6-7(3)10/h4-5,7,10H,1,6H2,2-3H3
InChIKeyDPXXPAHXYGXTDL-UHFFFAOYSA-N
XLogP0.97
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-(2-hydroxypropoxy)prop-1-enyl prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxypropyl 2-methyl-3-prop-2-enoyloxypropanoate
CID 151533065
2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propyl prop-2-enoate
CID 21458421
2-hydroxypropyl prop-2-enoate;phosphono prop-2-enoate
CID 174553510
2-hydroxypropyl prop-2-enoate;3-prop-2-enoyloxypropanoic acid
CID 87645006
2-hydroxypropyl prop-2-enoate;2-methyloxirane
CID 87793859
2-hydroxypropyl 2-methylprop-2-enoate;methyl prop-2-enoate
CID 174853602
(2-hydroxy-2-sulfanylethyl) prop-2-enoate
CID 150473785
prop-2-enoyl 2-methylbut-3-enoate
CID 174358107
(4-hydroxy-2,3-dimethyl-4-prop-2-enoyloxybutyl) prop-2-enoate
CID 19428957
prop-2-enoyl 2-(2,3-dihydroxypropoxy)but-2-enoate
CID 173289445
(3-bromo-2-hydroxypropyl) prop-2-enoate
CID 54425888
2-butoxyethyl prop-2-enoate;2-hydroxypropyl prop-2-enoate
CID 88684060

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypropoxy)prop-1-enyl prop-2-enoate?
The IUPAC name of 1-(2-hydroxypropoxy)prop-1-enyl prop-2-enoate (CID 175902908) is 1-(2-hydroxypropoxy)prop-1-enyl prop-2-enoate.
What is the SMILES notation for 1-(2-hydroxypropoxy)prop-1-enyl prop-2-enoate?
The canonical SMILES for 1-(2-hydroxypropoxy)prop-1-enyl prop-2-enoate is C=CC(=O)OC(=CC)OCC(C)O.
What is the InChIKey of 1-(2-hydroxypropoxy)prop-1-enyl prop-2-enoate?
The InChIKey is DPXXPAHXYGXTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O4/c1-4-8(11)13-9(5-2)12-6-7(3)10/h4-5,7,10H,1,6H2,2-3H3.
What are the key properties of 1-(2-hydroxypropoxy)prop-1-enyl prop-2-enoate?
1-(2-hydroxypropoxy)prop-1-enyl prop-2-enoate has a molecular weight of 186.21 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypropoxy)prop-1-enyl prop-2-enoate is sourced from PubChem (CID 175902908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).