sodium;acetic acid;propan-2-ol;acetate

C7H15NaO5 — CID 161389627

IUPACsodium;acetic acid;propan-2-ol;acetate
SMILESCC(=O)O.CC(=O)[O-].CC(C)O.[Na+]
InChIInChI=1S/C3H8O.2C2H4O2.Na/c1-3(2)4;2*1-2(3)4;/h3-4H,1-2H3;2*1H3,(H,3,4);/q;;;+1/p-1
InChIKeyVSUUNZJGQCFIFF-UHFFFAOYSA-M
MW202.18 g/mol
LogP-3.76
Rot. Bonds

About sodium;acetic acid;propan-2-ol;acetate

sodium;acetic acid;propan-2-ol;acetate (PubChem CID 161389627) has the molecular formula C7H15NaO5 and a molecular weight of 202.18 g/mol. Its IUPAC name is sodium;acetic acid;propan-2-ol;acetate.

Molecular Properties

Compound Namesodium;acetic acid;propan-2-ol;acetate
PubChem CID161389627
Molecular FormulaC7H15NaO5
Molecular Weight202.18 g/mol
Exact Mass202.08
IUPAC Namesodium;acetic acid;propan-2-ol;acetate
SMILESCC(=O)O.CC(=O)[O-].CC(C)O.[Na+]
InChIInChI=1S/C3H8O.2C2H4O2.Na/c1-3(2)4;2*1-2(3)4;/h3-4H,1-2H3;2*1H3,(H,3,4);/q;;;+1/p-1
InChIKeyVSUUNZJGQCFIFF-UHFFFAOYSA-M
XLogP-3.76
TPSA97.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 5-3.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze sodium;acetic acid;propan-2-ol;acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

disodium;acetic acid;diacetate
CID 173429672
tetrasodium;acetic acid;tetraacetate
CID 175423347
sodium;acetic acid;acetate
CID 173223990
disodium;acetic acid;diacetate;dihydrate
CID 157440241
potassium;sodium;acetic acid;azane;diacetate
CID 174405846
cesium;acetic acid;acetate
CID 175712747
dipotassium;acetic acid;diacetate
CID 158588749
acetic acid;iron(3+);triacetate
CID 175778067
acetic acid;yttrium(3+);triacetate
CID 175880904
acetic acid;nickel(2+);diacetate
CID 159615318
sodium;2,3-dihydroxybutanedioic acid;acetate
CID 89497134
nonasodium;nonaacetate
CID 173443222

Frequently Asked Questions

What is the IUPAC name of sodium;acetic acid;propan-2-ol;acetate?
The IUPAC name of sodium;acetic acid;propan-2-ol;acetate (CID 161389627) is sodium;acetic acid;propan-2-ol;acetate.
What is the SMILES notation for sodium;acetic acid;propan-2-ol;acetate?
The canonical SMILES for sodium;acetic acid;propan-2-ol;acetate is CC(=O)O.CC(=O)[O-].CC(C)O.[Na+].
What is the InChIKey of sodium;acetic acid;propan-2-ol;acetate?
The InChIKey is VSUUNZJGQCFIFF-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H8O.2C2H4O2.Na/c1-3(2)4;2*1-2(3)4;/h3-4H,1-2H3;2*1H3,(H,3,4);/q;;;+1/p-1.
What are the key properties of sodium;acetic acid;propan-2-ol;acetate?
sodium;acetic acid;propan-2-ol;acetate has a molecular weight of 202.18 g/mol, XLogP of -3.76, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;acetic acid;propan-2-ol;acetate is sourced from PubChem (CID 161389627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).