potassium 2-methylprop-2-enyl carbonate

C5H7KO3 — CID 175917909

IUPACpotassium 2-methylprop-2-enyl carbonate
SMILESC=C(C)COC(=O)[O-].[K+]
InChIInChI=1S/C5H8O3.K/c1-4(2)3-8-5(6)7;/h1,3H2,2H3,(H,6,7);/q;+1/p-1
InChIKeyQOAGEGGUSMQHKC-UHFFFAOYSA-M
MW154.21 g/mol
LogP-3.07
Rot. Bonds2

About potassium 2-methylprop-2-enyl carbonate

potassium 2-methylprop-2-enyl carbonate (PubChem CID 175917909) has the molecular formula C5H7KO3 and a molecular weight of 154.21 g/mol. Its IUPAC name is potassium 2-methylprop-2-enyl carbonate.

Molecular Properties

Compound Namepotassium 2-methylprop-2-enyl carbonate
PubChem CID175917909
Molecular FormulaC5H7KO3
Molecular Weight154.21 g/mol
Exact Mass154.00
IUPAC Namepotassium 2-methylprop-2-enyl carbonate
SMILESC=C(C)COC(=O)[O-].[K+]
InChIInChI=1S/C5H8O3.K/c1-4(2)3-8-5(6)7;/h1,3H2,2H3,(H,6,7);/q;+1/p-1
InChIKeyQOAGEGGUSMQHKC-UHFFFAOYSA-M
XLogP-3.07
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 5-3.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium 2-methylprop-2-enyl carbonate?
The IUPAC name of potassium 2-methylprop-2-enyl carbonate (CID 175917909) is potassium 2-methylprop-2-enyl carbonate.
What is the SMILES notation for potassium 2-methylprop-2-enyl carbonate?
The canonical SMILES for potassium 2-methylprop-2-enyl carbonate is C=C(C)COC(=O)[O-].[K+].
What is the InChIKey of potassium 2-methylprop-2-enyl carbonate?
The InChIKey is QOAGEGGUSMQHKC-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H8O3.K/c1-4(2)3-8-5(6)7;/h1,3H2,2H3,(H,6,7);/q;+1/p-1.
What are the key properties of potassium 2-methylprop-2-enyl carbonate?
potassium 2-methylprop-2-enyl carbonate has a molecular weight of 154.21 g/mol, XLogP of -3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-methylprop-2-enyl carbonate is sourced from PubChem (CID 175917909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).