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

C11H18O5 — CID 140916146

IUPACprop-2-enyl 3-[2-(2-oxopropoxy)ethoxy]propanoate
SMILESC=CCOC(=O)CCOCCOCC(C)=O
InChIInChI=1S/C11H18O5/c1-3-5-16-11(13)4-6-14-7-8-15-9-10(2)12/h3H,1,4-9H2,2H3
InChIKeyQZULHBNMWJUNBJ-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.73
Rot. Bonds10

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

prop-2-enyl 3-[2-(2-oxopropoxy)ethoxy]propanoate (PubChem CID 140916146) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is prop-2-enyl 3-[2-(2-oxopropoxy)ethoxy]propanoate.

Molecular Properties

Compound Nameprop-2-enyl 3-[2-(2-oxopropoxy)ethoxy]propanoate
PubChem CID140916146
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Nameprop-2-enyl 3-[2-(2-oxopropoxy)ethoxy]propanoate
SMILESC=CCOC(=O)CCOCCOCC(C)=O
InChIInChI=1S/C11H18O5/c1-3-5-16-11(13)4-6-14-7-8-15-9-10(2)12/h3H,1,4-9H2,2H3
InChIKeyQZULHBNMWJUNBJ-UHFFFAOYSA-N
XLogP0.73
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.73
H-Bond Donors ≤ 50
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-hydroxyethoxy)ethoxy]propanoate
CID 174869989
prop-2-enyl 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoate
CID 88876776
4-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]butan-2-one
CID 59109167
tert-butyl 4-[2-[2-[2-(3-oxo-3-prop-2-enoxypropoxy)ethoxy]ethoxy]ethoxy]butanoate
CID 158205428
1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
CID 175805082
ethyl 3-but-3-enoxypropanoate
CID 43174166
prop-2-enyl 2-(2-methylsulfonyloxyethoxy)acetate
CID 161457397
ethyl 3-pent-4-enoxypropanoate
CID 79113239
4-O-(4-oxo-4-prop-2-enoxybutanoyl) 1-O-prop-2-enyl butanedioate
CID 11822629
1-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
CID 158591321
prop-2-enyl 4-methyl-4-[2-methyl-2-(2-oxopropoxy)propoxy]pentanoate
CID 155110215

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 3-[2-(2-oxopropoxy)ethoxy]propanoate?
The IUPAC name of prop-2-enyl 3-[2-(2-oxopropoxy)ethoxy]propanoate (CID 140916146) is prop-2-enyl 3-[2-(2-oxopropoxy)ethoxy]propanoate.
What is the SMILES notation for prop-2-enyl 3-[2-(2-oxopropoxy)ethoxy]propanoate?
The canonical SMILES for prop-2-enyl 3-[2-(2-oxopropoxy)ethoxy]propanoate is C=CCOC(=O)CCOCCOCC(C)=O.
What is the InChIKey of prop-2-enyl 3-[2-(2-oxopropoxy)ethoxy]propanoate?
The InChIKey is QZULHBNMWJUNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5/c1-3-5-16-11(13)4-6-14-7-8-15-9-10(2)12/h3H,1,4-9H2,2H3.
What are the key properties of prop-2-enyl 3-[2-(2-oxopropoxy)ethoxy]propanoate?
prop-2-enyl 3-[2-(2-oxopropoxy)ethoxy]propanoate has a molecular weight of 230.26 g/mol, XLogP of 0.73, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 3-[2-(2-oxopropoxy)ethoxy]propanoate is sourced from PubChem (CID 140916146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).