3-prop-2-enoyloxypropanoate;zirconium(4+)

C6H7O4Zr+3 — CID 172701120

IUPAC3-prop-2-enoyloxypropanoate;zirconium(4+)
SMILESC=CC(=O)OCCC(=O)[O-].[Zr+4]
InChIInChI=1S/C6H8O4.Zr/c1-2-6(9)10-4-3-5(7)8;/h2H,1,3-4H2,(H,7,8);/q;+4/p-1
InChIKeyCZBKKZIZZVONQL-UHFFFAOYSA-M
MW234.34 g/mol
LogP-1.15
Rot. Bonds4

About 3-prop-2-enoyloxypropanoate;zirconium(4+)

3-prop-2-enoyloxypropanoate;zirconium(4+) (PubChem CID 172701120) has the molecular formula C6H7O4Zr+3 and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-prop-2-enoyloxypropanoate;zirconium(4+).

Molecular Properties

Compound Name3-prop-2-enoyloxypropanoate;zirconium(4+)
PubChem CID172701120
Molecular FormulaC6H7O4Zr+3
Molecular Weight234.34 g/mol
Exact Mass232.94
IUPAC Name3-prop-2-enoyloxypropanoate;zirconium(4+)
SMILESC=CC(=O)OCCC(=O)[O-].[Zr+4]
InChIInChI=1S/C6H8O4.Zr/c1-2-6(9)10-4-3-5(7)8;/h2H,1,3-4H2,(H,7,8);/q;+4/p-1
InChIKeyCZBKKZIZZVONQL-UHFFFAOYSA-M
XLogP-1.15
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 5-1.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
2,3-bis(2-prop-2-enoyloxyethyl)but-2-enedioic acid
CID 54300292
2,2-bis(2-prop-2-enoyloxyethyl)hexanedioate
CID 20563785
methyl 3-prop-2-enoyloxypropanoate
CID 14496497
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
3-carbamoyloxypropyl prop-2-enoate
CID 58831010
3-[2-[2-(3-prop-2-enoyloxypropoxy)ethoxy]ethoxy]propyl prop-2-enoate
CID 151846925
[3-oxo-3-[2-(3-prop-2-enoyloxypropanoyl)cyclohexyl]propyl] prop-2-enoate
CID 90972924
ethyl 3-prop-2-enoyloxypropanoate
CID 14496496
N-(2-prop-2-enoyloxyethyl)carbamate
CID 20502002

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enoyloxypropanoate;zirconium(4+)?
The IUPAC name of 3-prop-2-enoyloxypropanoate;zirconium(4+) (CID 172701120) is 3-prop-2-enoyloxypropanoate;zirconium(4+).
What is the SMILES notation for 3-prop-2-enoyloxypropanoate;zirconium(4+)?
The canonical SMILES for 3-prop-2-enoyloxypropanoate;zirconium(4+) is C=CC(=O)OCCC(=O)[O-].[Zr+4].
What is the InChIKey of 3-prop-2-enoyloxypropanoate;zirconium(4+)?
The InChIKey is CZBKKZIZZVONQL-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H8O4.Zr/c1-2-6(9)10-4-3-5(7)8;/h2H,1,3-4H2,(H,7,8);/q;+4/p-1.
What are the key properties of 3-prop-2-enoyloxypropanoate;zirconium(4+)?
3-prop-2-enoyloxypropanoate;zirconium(4+) has a molecular weight of 234.34 g/mol, XLogP of -1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enoyloxypropanoate;zirconium(4+) is sourced from PubChem (CID 172701120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).