potassium 3,3-diethoxypropan-1-olate

C7H15KO3 — CID 23688415

IUPACpotassium 3,3-diethoxypropan-1-olate
SMILESCCOC(CC[O-])OCC.[K+]
InChIInChI=1S/C7H15O3.K/c1-3-9-7(5-6-8)10-4-2;/h7H,3-6H2,1-2H3;/q-1;+1
InChIKeyFHUYBTQMBOHBGU-UHFFFAOYSA-N
MW186.29 g/mol
LogP-2.86
Rot. Bonds6

About potassium 3,3-diethoxypropan-1-olate

potassium 3,3-diethoxypropan-1-olate (PubChem CID 23688415) has the molecular formula C7H15KO3 and a molecular weight of 186.29 g/mol. Its IUPAC name is potassium 3,3-diethoxypropan-1-olate.

Molecular Properties

Compound Namepotassium 3,3-diethoxypropan-1-olate
PubChem CID23688415
Molecular FormulaC7H15KO3
Molecular Weight186.29 g/mol
Exact Mass186.07
IUPAC Namepotassium 3,3-diethoxypropan-1-olate
SMILESCCOC(CC[O-])OCC.[K+]
InChIInChI=1S/C7H15O3.K/c1-3-9-7(5-6-8)10-4-2;/h7H,3-6H2,1-2H3;/q-1;+1
InChIKeyFHUYBTQMBOHBGU-UHFFFAOYSA-N
XLogP-2.86
TPSA41.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 5-2.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-bromo-1,1-diethoxybutane
CID 568500
CID 87144633
CID 87144633
16-bromo-1,1-diethoxyhexadecane
CID 88601641
N-(3,3-diethoxypropyl)-3,3-diethoxypropan-1-amine
CID 88541962
1,1,7,7-tetraethoxyheptan-4-amine
CID 10469545
12,12-diethoxydodec-1-ene
CID 146004846
5,5-diethoxy-2-methylpent-1-ene
CID 131855560
16,16-diethoxyhexadec-3-ene
CID 91492223
N-(8,8-diethoxyoctoxy)methanamine
CID 143819470
N-(3,3-diethoxypropyl)decan-1-amine
CID 81093302
6,6-diethoxyhexanoic acid;indigane
CID 175089271
N-(3,3-diethoxypropyl)-4-methylpentan-1-amine
CID 81095223

Frequently Asked Questions

What is the IUPAC name of potassium 3,3-diethoxypropan-1-olate?
The IUPAC name of potassium 3,3-diethoxypropan-1-olate (CID 23688415) is potassium 3,3-diethoxypropan-1-olate.
What is the SMILES notation for potassium 3,3-diethoxypropan-1-olate?
The canonical SMILES for potassium 3,3-diethoxypropan-1-olate is CCOC(CC[O-])OCC.[K+].
What is the InChIKey of potassium 3,3-diethoxypropan-1-olate?
The InChIKey is FHUYBTQMBOHBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O3.K/c1-3-9-7(5-6-8)10-4-2;/h7H,3-6H2,1-2H3;/q-1;+1.
What are the key properties of potassium 3,3-diethoxypropan-1-olate?
potassium 3,3-diethoxypropan-1-olate has a molecular weight of 186.29 g/mol, XLogP of -2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3,3-diethoxypropan-1-olate is sourced from PubChem (CID 23688415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).