prop-2-enyl 3-[2-(2-hydroxyethoxy)ethoxy]propanoate

C10H18O5 — CID 174869989

IUPACprop-2-enyl 3-[2-(2-hydroxyethoxy)ethoxy]propanoate
SMILESC=CCOC(=O)CCOCCOCCO
InChIInChI=1S/C10H18O5/c1-2-5-15-10(12)3-6-13-8-9-14-7-4-11/h2,11H,1,3-9H2
InChIKeyNLIQJABVXSWJEX-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.13
Rot. Bonds10

About prop-2-enyl 3-[2-(2-hydroxyethoxy)ethoxy]propanoate

prop-2-enyl 3-[2-(2-hydroxyethoxy)ethoxy]propanoate (PubChem CID 174869989) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is prop-2-enyl 3-[2-(2-hydroxyethoxy)ethoxy]propanoate.

Molecular Properties

Compound Nameprop-2-enyl 3-[2-(2-hydroxyethoxy)ethoxy]propanoate
PubChem CID174869989
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Nameprop-2-enyl 3-[2-(2-hydroxyethoxy)ethoxy]propanoate
SMILESC=CCOC(=O)CCOCCOCCO
InChIInChI=1S/C10H18O5/c1-2-5-15-10(12)3-6-13-8-9-14-7-4-11/h2,11H,1,3-9H2
InChIKeyNLIQJABVXSWJEX-UHFFFAOYSA-N
XLogP0.13
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoate
CID 88876740
prop-2-enyl 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoate
CID 88876776
bis(prop-2-enyl) carbonate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 22918048
prop-2-enyl 3-[2-(2-oxopropoxy)ethoxy]propanoate
CID 140916146
2-[2-(2-hydroxyethoxy)ethoxy]ethyl prop-2-enyl carbonate
CID 91326710
prop-2-enyl 4-hydroxybutanoate
CID 11367059
2-(2-hydroxyethoxy)ethyl but-3-enoate
CID 88640670
tert-butyl 4-[2-[2-[2-(3-oxo-3-prop-2-enoxypropoxy)ethoxy]ethoxy]ethoxy]butanoate
CID 158205428
2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619769
2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619770
ethyl 3-(2-hydroxyethoxy)propanoate
CID 22394031
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;prop-2-enoic acid
CID 88626214

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 3-[2-(2-hydroxyethoxy)ethoxy]propanoate?
The IUPAC name of prop-2-enyl 3-[2-(2-hydroxyethoxy)ethoxy]propanoate (CID 174869989) is prop-2-enyl 3-[2-(2-hydroxyethoxy)ethoxy]propanoate.
What is the SMILES notation for prop-2-enyl 3-[2-(2-hydroxyethoxy)ethoxy]propanoate?
The canonical SMILES for prop-2-enyl 3-[2-(2-hydroxyethoxy)ethoxy]propanoate is C=CCOC(=O)CCOCCOCCO.
What is the InChIKey of prop-2-enyl 3-[2-(2-hydroxyethoxy)ethoxy]propanoate?
The InChIKey is NLIQJABVXSWJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5/c1-2-5-15-10(12)3-6-13-8-9-14-7-4-11/h2,11H,1,3-9H2.
What are the key properties of prop-2-enyl 3-[2-(2-hydroxyethoxy)ethoxy]propanoate?
prop-2-enyl 3-[2-(2-hydroxyethoxy)ethoxy]propanoate has a molecular weight of 218.25 g/mol, XLogP of 0.13, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 3-[2-(2-hydroxyethoxy)ethoxy]propanoate is sourced from PubChem (CID 174869989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).