sodium;cyclohexane-1,4-dione;hydroxide

C6H9NaO3 — CID 175584383

IUPACsodium;cyclohexane-1,4-dione;hydroxide
SMILESO=C1CCC(=O)CC1.[Na+].[OH-]
InChIInChI=1S/C6H8O2.Na.H2O/c7-5-1-2-6(8)4-3-5;;/h1-4H2;;1H2/q;+1;/p-1
InChIKeyQHGCMWDJKDGAJT-UHFFFAOYSA-M
MW152.12 g/mol
LogP-2.47
Rot. Bonds

About sodium;cyclohexane-1,4-dione;hydroxide

sodium;cyclohexane-1,4-dione;hydroxide (PubChem CID 175584383) has the molecular formula C6H9NaO3 and a molecular weight of 152.12 g/mol. Its IUPAC name is sodium;cyclohexane-1,4-dione;hydroxide.

Molecular Properties

Compound Namesodium;cyclohexane-1,4-dione;hydroxide
PubChem CID175584383
Molecular FormulaC6H9NaO3
Molecular Weight152.12 g/mol
Exact Mass152.04
IUPAC Namesodium;cyclohexane-1,4-dione;hydroxide
SMILESO=C1CCC(=O)CC1.[Na+].[OH-]
InChIInChI=1S/C6H8O2.Na.H2O/c7-5-1-2-6(8)4-3-5;;/h1-4H2;;1H2/q;+1;/p-1
InChIKeyQHGCMWDJKDGAJT-UHFFFAOYSA-M
XLogP-2.47
TPSA64.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.12
LogP ≤ 5-2.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexane-1,4-dione;ethene
CID 22146617
4-cyclopropylidenecyclohexan-1-one
CID 22502174
cyclopropanone;ethane
CID 90860291
cyclopropanone;ethene
CID 66872502
sodium;cyclohexane-1,4-dione;acetate
CID 175584436
CID 162230812
CID 162230812
cyclotricosanone
CID 54375596
cyclododecanone
CID 141308130
cyclopentanone;sulfur monoxide
CID 70608857
azane;cyclononanone
CID 172719607
cyclohexane;cyclohexanone;sulfane
CID 175236228
cyclopropanone;propan-2-one
CID 68522509

Frequently Asked Questions

What is the IUPAC name of sodium;cyclohexane-1,4-dione;hydroxide?
The IUPAC name of sodium;cyclohexane-1,4-dione;hydroxide (CID 175584383) is sodium;cyclohexane-1,4-dione;hydroxide.
What is the SMILES notation for sodium;cyclohexane-1,4-dione;hydroxide?
The canonical SMILES for sodium;cyclohexane-1,4-dione;hydroxide is O=C1CCC(=O)CC1.[Na+].[OH-].
What is the InChIKey of sodium;cyclohexane-1,4-dione;hydroxide?
The InChIKey is QHGCMWDJKDGAJT-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H8O2.Na.H2O/c7-5-1-2-6(8)4-3-5;;/h1-4H2;;1H2/q;+1;/p-1.
What are the key properties of sodium;cyclohexane-1,4-dione;hydroxide?
sodium;cyclohexane-1,4-dione;hydroxide has a molecular weight of 152.12 g/mol, XLogP of -2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;cyclohexane-1,4-dione;hydroxide is sourced from PubChem (CID 175584383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).