potassium;(1-formylcyclopropyl) acetate;hydride

C6H9KO3 — CID 175076174

IUPACpotassium;(1-formylcyclopropyl) acetate;hydride
SMILESCC(=O)OC1(C=O)CC1.[H-].[K+]
InChIInChI=1S/C6H8O3.K.H/c1-5(8)9-6(4-7)2-3-6;;/h4H,2-3H2,1H3;;/q;+1;-1
InChIKeyLOQXPTAPSWZBCU-UHFFFAOYSA-N
MW168.23 g/mol
LogP-2.60
Rot. Bonds2

About potassium;(1-formylcyclopropyl) acetate;hydride

potassium;(1-formylcyclopropyl) acetate;hydride (PubChem CID 175076174) has the molecular formula C6H9KO3 and a molecular weight of 168.23 g/mol. Its IUPAC name is potassium;(1-formylcyclopropyl) acetate;hydride.

Molecular Properties

Compound Namepotassium;(1-formylcyclopropyl) acetate;hydride
PubChem CID175076174
Molecular FormulaC6H9KO3
Molecular Weight168.23 g/mol
Exact Mass168.02
IUPAC Namepotassium;(1-formylcyclopropyl) acetate;hydride
SMILESCC(=O)OC1(C=O)CC1.[H-].[K+]
InChIInChI=1S/C6H8O3.K.H/c1-5(8)9-6(4-7)2-3-6;;/h4H,2-3H2,1H3;;/q;+1;-1
InChIKeyLOQXPTAPSWZBCU-UHFFFAOYSA-N
XLogP-2.60
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.23
LogP ≤ 5-2.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1-formylcyclopropyl) acetate
CID 155705215
(1-propa-1,2-dienylcyclooctyl) acetate
CID 102074040
(1-methylcyclobutyl) acetate
CID 13396130
(2,2-diacetyloxy-1-formylcyclooctyl) acetate
CID 173250012
(1-aminocyclopropyl) acetate;hydrochloride
CID 118035296
(1-sulfanylcyclopropyl) acetate
CID 90315897
(4-formylpiperidin-4-yl) carbamate
CID 175757330
(1-tert-butylcyclopentyl) acetate
CID 58430277
sodium;hydride;[1-(sulfanylmethyl)cyclopropyl] acetate
CID 173069746
(3,3-difluoro-1-formylcyclopentyl) carbamate
CID 175173267
(1-hydroxycyclooctyl) acetate
CID 91039609
[1-[(E)-3-methylpent-1-enyl]cyclohexyl] acetate
CID 118541075

Frequently Asked Questions

What is the IUPAC name of potassium;(1-formylcyclopropyl) acetate;hydride?
The IUPAC name of potassium;(1-formylcyclopropyl) acetate;hydride (CID 175076174) is potassium;(1-formylcyclopropyl) acetate;hydride.
What is the SMILES notation for potassium;(1-formylcyclopropyl) acetate;hydride?
The canonical SMILES for potassium;(1-formylcyclopropyl) acetate;hydride is CC(=O)OC1(C=O)CC1.[H-].[K+].
What is the InChIKey of potassium;(1-formylcyclopropyl) acetate;hydride?
The InChIKey is LOQXPTAPSWZBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O3.K.H/c1-5(8)9-6(4-7)2-3-6;;/h4H,2-3H2,1H3;;/q;+1;-1.
What are the key properties of potassium;(1-formylcyclopropyl) acetate;hydride?
potassium;(1-formylcyclopropyl) acetate;hydride has a molecular weight of 168.23 g/mol, XLogP of -2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;(1-formylcyclopropyl) acetate;hydride is sourced from PubChem (CID 175076174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).