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

C12H22O6 — CID 88876740

IUPACprop-2-enyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoate
SMILESC=CCOC(=O)CCOCCOCCOCCO
InChIInChI=1S/C12H22O6/c1-2-5-18-12(14)3-6-15-8-10-17-11-9-16-7-4-13/h2,13H,1,3-11H2
InChIKeyNWUNFVNJFQFJRL-UHFFFAOYSA-N
MW262.30 g/mol
LogP0.15
Rot. Bonds13

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

prop-2-enyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoate (PubChem CID 88876740) has the molecular formula C12H22O6 and a molecular weight of 262.30 g/mol. Its IUPAC name is prop-2-enyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoate.

Molecular Properties

Compound Nameprop-2-enyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoate
PubChem CID88876740
Molecular FormulaC12H22O6
Molecular Weight262.30 g/mol
Exact Mass262.14
IUPAC Nameprop-2-enyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoate
SMILESC=CCOC(=O)CCOCCOCCOCCO
InChIInChI=1S/C12H22O6/c1-2-5-18-12(14)3-6-15-8-10-17-11-9-16-7-4-13/h2,13H,1,3-11H2
InChIKeyNWUNFVNJFQFJRL-UHFFFAOYSA-N
XLogP0.15
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-hydroxyethoxy)ethoxy]propanoate
CID 174869989
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-(2-hydroxyethoxy)ethoxy]ethoxy]propanoate?
The IUPAC name of prop-2-enyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoate (CID 88876740) is prop-2-enyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoate.
What is the SMILES notation for prop-2-enyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoate?
The canonical SMILES for prop-2-enyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoate is C=CCOC(=O)CCOCCOCCOCCO.
What is the InChIKey of prop-2-enyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoate?
The InChIKey is NWUNFVNJFQFJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O6/c1-2-5-18-12(14)3-6-15-8-10-17-11-9-16-7-4-13/h2,13H,1,3-11H2.
What are the key properties of prop-2-enyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoate?
prop-2-enyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoate has a molecular weight of 262.30 g/mol, XLogP of 0.15, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoate is sourced from PubChem (CID 88876740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).