2-prop-2-enoxyethyl 4-prop-2-enoyloxybutanoate

C12H18O5 — CID 161381501

IUPAC2-prop-2-enoxyethyl 4-prop-2-enoyloxybutanoate
SMILESC=CCOCCOC(=O)CCCOC(=O)C=C
InChIInChI=1S/C12H18O5/c1-3-7-15-9-10-17-12(14)6-5-8-16-11(13)4-2/h3-4H,1-2,5-10H2
InChIKeyVRTYZTNSQUNRJD-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.24
Rot. Bonds10

About 2-prop-2-enoxyethyl 4-prop-2-enoyloxybutanoate

2-prop-2-enoxyethyl 4-prop-2-enoyloxybutanoate (PubChem CID 161381501) has the molecular formula C12H18O5 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-prop-2-enoxyethyl 4-prop-2-enoyloxybutanoate.

Molecular Properties

Compound Name2-prop-2-enoxyethyl 4-prop-2-enoyloxybutanoate
PubChem CID161381501
Molecular FormulaC12H18O5
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name2-prop-2-enoxyethyl 4-prop-2-enoyloxybutanoate
SMILESC=CCOCCOC(=O)CCCOC(=O)C=C
InChIInChI=1S/C12H18O5/c1-3-7-15-9-10-17-12(14)6-5-8-16-11(13)4-2/h3-4H,1-2,5-10H2
InChIKeyVRTYZTNSQUNRJD-UHFFFAOYSA-N
XLogP1.24
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.24
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-oxo-4-[6-oxo-6-[6-oxo-6-(2-prop-2-enoyloxyethoxy)hexoxy]hexoxy]butanoic acid;4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoic acid
CID 159615656
2-(4-prop-2-enoyloxybutanoyloxy)ethyl 2-methylbutanoate
CID 58203094
2-[4-(2-prop-2-enoyloxyethoxy)butanoyloxy]ethyl 2-methylbutanoate
CID 164970807
4-prop-2-enoyloxybutyl 6-hydroxyhexanoate
CID 141175225
3-[2-[2-(3-prop-2-enoyloxypropoxy)ethoxy]ethoxy]propyl prop-2-enoate
CID 151846925
3-aminopropyl 3-prop-2-enoyloxypropanoate
CID 142038573
ethyl 6-[6-[6-[6-[6-[6-(6-prop-2-enoyloxyhexanoyloxy)hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoate
CID 100953940
6-prop-2-enoyloxyhexyl octanoate
CID 54500825
2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl 4-(oxiran-2-yl)butanoate
CID 176908538
4-prop-2-enylperoxybutyl prop-2-enoate
CID 20675769
2-[2-[2-[6-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]hexoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 101134249
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

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enoxyethyl 4-prop-2-enoyloxybutanoate?
The IUPAC name of 2-prop-2-enoxyethyl 4-prop-2-enoyloxybutanoate (CID 161381501) is 2-prop-2-enoxyethyl 4-prop-2-enoyloxybutanoate.
What is the SMILES notation for 2-prop-2-enoxyethyl 4-prop-2-enoyloxybutanoate?
The canonical SMILES for 2-prop-2-enoxyethyl 4-prop-2-enoyloxybutanoate is C=CCOCCOC(=O)CCCOC(=O)C=C.
What is the InChIKey of 2-prop-2-enoxyethyl 4-prop-2-enoyloxybutanoate?
The InChIKey is VRTYZTNSQUNRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O5/c1-3-7-15-9-10-17-12(14)6-5-8-16-11(13)4-2/h3-4H,1-2,5-10H2.
What are the key properties of 2-prop-2-enoxyethyl 4-prop-2-enoyloxybutanoate?
2-prop-2-enoxyethyl 4-prop-2-enoyloxybutanoate has a molecular weight of 242.27 g/mol, XLogP of 1.24, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoxyethyl 4-prop-2-enoyloxybutanoate is sourced from PubChem (CID 161381501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).