sodium;acetyl 2-methylprop-2-enoate;hydride

C6H9NaO3 — CID 174757857

IUPACsodium;acetyl 2-methylprop-2-enoate;hydride
SMILESC=C(C)C(=O)OC(C)=O.[H-].[Na+]
InChIInChI=1S/C6H8O3.Na.H/c1-4(2)6(8)9-5(3)7;;/h1H2,2-3H3;;/q;+1;-1
InChIKeyUUYDXMHOOAKLEJ-UHFFFAOYSA-N
MW152.12 g/mol
LogP-2.23
Rot. Bonds1

About sodium;acetyl 2-methylprop-2-enoate;hydride

sodium;acetyl 2-methylprop-2-enoate;hydride (PubChem CID 174757857) has the molecular formula C6H9NaO3 and a molecular weight of 152.12 g/mol. Its IUPAC name is sodium;acetyl 2-methylprop-2-enoate;hydride.

Molecular Properties

Compound Namesodium;acetyl 2-methylprop-2-enoate;hydride
PubChem CID174757857
Molecular FormulaC6H9NaO3
Molecular Weight152.12 g/mol
Exact Mass152.04
IUPAC Namesodium;acetyl 2-methylprop-2-enoate;hydride
SMILESC=C(C)C(=O)OC(C)=O.[H-].[Na+]
InChIInChI=1S/C6H8O3.Na.H/c1-4(2)6(8)9-5(3)7;;/h1H2,2-3H3;;/q;+1;-1
InChIKeyUUYDXMHOOAKLEJ-UHFFFAOYSA-N
XLogP-2.23
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.12
LogP ≤ 5-2.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methylprop-1-ene;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 170331800
acetyloxycarbonyl 2-methylprop-2-enoate
CID 118497661
prop-1-en-2-yl 2-methylprop-2-enoate;silane
CID 173354947
2-methylprop-2-enoyloxymethanethioic S-acid
CID 175561499
acetyl 2-prop-1-en-2-ylbut-2-enoate
CID 163750148
alumane;diacetyl oxalate
CID 173325871
2-(2-hydroxyethoxy)ethanol;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 174279431
2-methylbuta-1,3-diene;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 87864709
but-2-en-2-yl 2-methylprop-2-enoate
CID 57052528
[2-(2-methylprop-2-enoylperoxy)-2-oxoacetyl] 2-methylprop-2-enoate
CID 87083880
acetyl 2-methylprop-2-enoate;2-[2-(2-hydroxyethoxy)ethoxy]acetic acid
CID 174807488
calcium;acetyl 2-oxopropanoate;alumane;hydride
CID 174860382

Frequently Asked Questions

What is the IUPAC name of sodium;acetyl 2-methylprop-2-enoate;hydride?
The IUPAC name of sodium;acetyl 2-methylprop-2-enoate;hydride (CID 174757857) is sodium;acetyl 2-methylprop-2-enoate;hydride.
What is the SMILES notation for sodium;acetyl 2-methylprop-2-enoate;hydride?
The canonical SMILES for sodium;acetyl 2-methylprop-2-enoate;hydride is C=C(C)C(=O)OC(C)=O.[H-].[Na+].
What is the InChIKey of sodium;acetyl 2-methylprop-2-enoate;hydride?
The InChIKey is UUYDXMHOOAKLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O3.Na.H/c1-4(2)6(8)9-5(3)7;;/h1H2,2-3H3;;/q;+1;-1.
What are the key properties of sodium;acetyl 2-methylprop-2-enoate;hydride?
sodium;acetyl 2-methylprop-2-enoate;hydride has a molecular weight of 152.12 g/mol, XLogP of -2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;acetyl 2-methylprop-2-enoate;hydride is sourced from PubChem (CID 174757857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).