sodium;acetic acid;cyclohexane

C8H15NaO2 — CID 162313099

IUPACsodium;acetic acid;cyclohexane
SMILESCC(=O)O.[CH-]1CCCCC1.[Na+]
InChIInChI=1S/C6H11.C2H4O2.Na/c1-2-4-6-5-3-1;1-2(3)4;/h1H,2-6H2;1H3,(H,3,4);/q-1;;+1
InChIKeySGUAJXCQQVREJR-UHFFFAOYSA-N
MW166.20 g/mol
LogP-0.75
Rot. Bonds

About sodium;acetic acid;cyclohexane

sodium;acetic acid;cyclohexane (PubChem CID 162313099) has the molecular formula C8H15NaO2 and a molecular weight of 166.20 g/mol. Its IUPAC name is sodium;acetic acid;cyclohexane.

Molecular Properties

Compound Namesodium;acetic acid;cyclohexane
PubChem CID162313099
Molecular FormulaC8H15NaO2
Molecular Weight166.20 g/mol
Exact Mass166.10
IUPAC Namesodium;acetic acid;cyclohexane
SMILESCC(=O)O.[CH-]1CCCCC1.[Na+]
InChIInChI=1S/C6H11.C2H4O2.Na/c1-2-4-6-5-3-1;1-2(3)4;/h1H,2-6H2;1H3,(H,3,4);/q-1;;+1
InChIKeySGUAJXCQQVREJR-UHFFFAOYSA-N
XLogP-0.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

potassium;acetic acid;cyclohexane
CID 160747714
acetic acid;cyclohexane;bis(2-methylpropane);palladium;phosphane
CID 87899991
sodium;cyclohexane;propanedioic acid
CID 174967678
acetic acid;cyclobutane;phosphane
CID 174489906
cyclohexane;holmium
CID 176977160
cyclohexane;ethanone;tungsten(2+)
CID 59636637
magnesium;cyclohexane;hydroxymethanone
CID 175668097
trisodium;acetic acid;hydride
CID 172996834
sodium;acetic acid;boranuide
CID 131724855
tricosasodium;acetic acid;hydride
CID 173423110
sodium;acetic acid;carbanide
CID 158665006
sodium;acetic acid;azanide
CID 172855434

Frequently Asked Questions

What is the IUPAC name of sodium;acetic acid;cyclohexane?
The IUPAC name of sodium;acetic acid;cyclohexane (CID 162313099) is sodium;acetic acid;cyclohexane.
What is the SMILES notation for sodium;acetic acid;cyclohexane?
The canonical SMILES for sodium;acetic acid;cyclohexane is CC(=O)O.[CH-]1CCCCC1.[Na+].
What is the InChIKey of sodium;acetic acid;cyclohexane?
The InChIKey is SGUAJXCQQVREJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11.C2H4O2.Na/c1-2-4-6-5-3-1;1-2(3)4;/h1H,2-6H2;1H3,(H,3,4);/q-1;;+1.
What are the key properties of sodium;acetic acid;cyclohexane?
sodium;acetic acid;cyclohexane has a molecular weight of 166.20 g/mol, XLogP of -0.75, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;acetic acid;cyclohexane is sourced from PubChem (CID 162313099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).