2-(3-hydroxypropoxy)ethyl prop-2-enoate

C8H14O4 — CID 59345604

IUPAC2-(3-hydroxypropoxy)ethyl prop-2-enoate
SMILESC=CC(=O)OCCOCCCO
InChIInChI=1S/C8H14O4/c1-2-8(10)12-7-6-11-5-3-4-9/h2,9H,1,3-7H2
InChIKeyKKGAMYLGVXMFDM-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.11
Rot. Bonds7

About 2-(3-hydroxypropoxy)ethyl prop-2-enoate

2-(3-hydroxypropoxy)ethyl prop-2-enoate (PubChem CID 59345604) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-(3-hydroxypropoxy)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(3-hydroxypropoxy)ethyl prop-2-enoate
PubChem CID59345604
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name2-(3-hydroxypropoxy)ethyl prop-2-enoate
SMILESC=CC(=O)OCCOCCCO
InChIInChI=1S/C8H14O4/c1-2-8(10)12-7-6-11-5-3-4-9/h2,9H,1,3-7H2
InChIKeyKKGAMYLGVXMFDM-UHFFFAOYSA-N
XLogP0.11
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-hydroxypropoxy)ethyl 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-[2-[2-[2-[2-[2-[2-[2-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 59511003
3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl prop-2-enoate
CID 59641461
3-(3-hydroxypropoxy)propyl prop-2-enoate
CID 54397362
2-[2-[2-[6-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]hexoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 101134249
carbonochloridic acid;2-(5-hydroxypentoxy)ethyl prop-2-enoate
CID 161184072
3-[2-[2-(3-prop-2-enoyloxypropoxy)ethoxy]ethoxy]propyl prop-2-enoate
CID 151846925
2-hydroxyethyl prop-2-enoate;3-hydroxypropyl prop-2-enoate
CID 87909374
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]ethyl prop-2-enoate
CID 135130326
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 11083788
2-docosoxyethyl prop-2-enoate
CID 87118947
11-hydroxyundecyl prop-2-enoate
CID 54223498
10-hydroxydecyl prop-2-enoate
CID 14715958

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropoxy)ethyl prop-2-enoate?
The IUPAC name of 2-(3-hydroxypropoxy)ethyl prop-2-enoate (CID 59345604) is 2-(3-hydroxypropoxy)ethyl prop-2-enoate.
What is the SMILES notation for 2-(3-hydroxypropoxy)ethyl prop-2-enoate?
The canonical SMILES for 2-(3-hydroxypropoxy)ethyl prop-2-enoate is C=CC(=O)OCCOCCCO.
What is the InChIKey of 2-(3-hydroxypropoxy)ethyl prop-2-enoate?
The InChIKey is KKGAMYLGVXMFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-2-8(10)12-7-6-11-5-3-4-9/h2,9H,1,3-7H2.
What are the key properties of 2-(3-hydroxypropoxy)ethyl prop-2-enoate?
2-(3-hydroxypropoxy)ethyl prop-2-enoate has a molecular weight of 174.20 g/mol, XLogP of 0.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropoxy)ethyl prop-2-enoate is sourced from PubChem (CID 59345604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).