2-prop-2-enoyloxyethoxyboronic acid

C5H9BO5 — CID 123659445

IUPAC2-prop-2-enoyloxyethoxyboronic acid
SMILESC=CC(=O)OCCOB(O)O
InChIInChI=1S/C5H9BO5/c1-2-5(7)10-3-4-11-6(8)9/h2,8-9H,1,3-4H2
InChIKeyRCZNLTJRUAXFOQ-UHFFFAOYSA-N
MW159.93 g/mol
LogP-1.30
Rot. Bonds5

About 2-prop-2-enoyloxyethoxyboronic acid

2-prop-2-enoyloxyethoxyboronic acid (PubChem CID 123659445) has the molecular formula C5H9BO5 and a molecular weight of 159.93 g/mol. Its IUPAC name is 2-prop-2-enoyloxyethoxyboronic acid.

Molecular Properties

Compound Name2-prop-2-enoyloxyethoxyboronic acid
PubChem CID123659445
Molecular FormulaC5H9BO5
Molecular Weight159.93 g/mol
Exact Mass160.05
IUPAC Name2-prop-2-enoyloxyethoxyboronic acid
SMILESC=CC(=O)OCCOB(O)O
InChIInChI=1S/C5H9BO5/c1-2-5(7)10-3-4-11-6(8)9/h2,8-9H,1,3-4H2
InChIKeyRCZNLTJRUAXFOQ-UHFFFAOYSA-N
XLogP-1.30
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.93
LogP ≤ 5-1.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
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
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
2-chloroethyl prop-2-enoate;ruthenium
CID 90254573
2-chloroethyl prop-2-enoate
CID 16627
12-hydroxydodecyl prop-2-enoate
CID 19859974
2-[2-[2-[6-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]hexoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 101134249
10-hydroxydecyl prop-2-enoate
CID 14715958
11-hydroxyundecyl prop-2-enoate
CID 54223498
2-[bis(2-prop-2-enoyloxyethoxy)phosphoryloxy]ethyl prop-2-enoate
CID 13205776

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enoyloxyethoxyboronic acid?
The IUPAC name of 2-prop-2-enoyloxyethoxyboronic acid (CID 123659445) is 2-prop-2-enoyloxyethoxyboronic acid.
What is the SMILES notation for 2-prop-2-enoyloxyethoxyboronic acid?
The canonical SMILES for 2-prop-2-enoyloxyethoxyboronic acid is C=CC(=O)OCCOB(O)O.
What is the InChIKey of 2-prop-2-enoyloxyethoxyboronic acid?
The InChIKey is RCZNLTJRUAXFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9BO5/c1-2-5(7)10-3-4-11-6(8)9/h2,8-9H,1,3-4H2.
What are the key properties of 2-prop-2-enoyloxyethoxyboronic acid?
2-prop-2-enoyloxyethoxyboronic acid has a molecular weight of 159.93 g/mol, XLogP of -1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoyloxyethoxyboronic acid is sourced from PubChem (CID 123659445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).