potassium hexan-3-olate

C6H13KO — CID 135074148

IUPACpotassium hexan-3-olate
SMILESCCCC([O-])CC.[K+]
InChIInChI=1S/C6H13O.K/c1-3-5-6(7)4-2;/h6H,3-5H2,1-2H3;/q-1;+1
InChIKeyAZPVOEHBZGKDDS-UHFFFAOYSA-N
MW140.27 g/mol
LogP-2.07
Rot. Bonds3

About potassium hexan-3-olate

potassium hexan-3-olate (PubChem CID 135074148) has the molecular formula C6H13KO and a molecular weight of 140.27 g/mol. Its IUPAC name is potassium hexan-3-olate.

Molecular Properties

Compound Namepotassium hexan-3-olate
PubChem CID135074148
Molecular FormulaC6H13KO
Molecular Weight140.27 g/mol
Exact Mass140.06
IUPAC Namepotassium hexan-3-olate
SMILESCCCC([O-])CC.[K+]
InChIInChI=1S/C6H13O.K/c1-3-5-6(7)4-2;/h6H,3-5H2,1-2H3;/q-1;+1
InChIKeyAZPVOEHBZGKDDS-UHFFFAOYSA-N
XLogP-2.07
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.27
LogP ≤ 5-2.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methoxypentane
CID 522287
3-Methoxyhexane
CID 542372
Potassium 1-methylpropoxide
CID 23694743
Kaliumbutylalkoholat
CID 129890419
Sodium pentan-2-olate
CID 18916455
Pentan-2-yl hypofluorite
CID 59645033
Hexan-2-yl hypofluorite
CID 123672640
Hexan-3-yl hypofluorite
CID 162385792
(2S)-2-methoxypentane
CID 59619140
Pentan-2-yl hypoiodite
CID 134934760
Pentan-3-olate
CID 20641307
CID 21553655
CID 21553655

Frequently Asked Questions

What is the IUPAC name of potassium hexan-3-olate?
The IUPAC name of potassium hexan-3-olate (CID 135074148) is potassium hexan-3-olate.
What is the SMILES notation for potassium hexan-3-olate?
The canonical SMILES for potassium hexan-3-olate is CCCC([O-])CC.[K+].
What is the InChIKey of potassium hexan-3-olate?
The InChIKey is AZPVOEHBZGKDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O.K/c1-3-5-6(7)4-2;/h6H,3-5H2,1-2H3;/q-1;+1.
What are the key properties of potassium hexan-3-olate?
potassium hexan-3-olate has a molecular weight of 140.27 g/mol, XLogP of -2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium hexan-3-olate is sourced from PubChem (CID 135074148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).