acetic acid;carbonic acid;prop-1-ene

C6H12O5 — CID 87718804

IUPACacetic acid;carbonic acid;prop-1-ene
SMILESC=CC.CC(=O)O.O=C(O)O
InChIInChI=1S/C3H6.C2H4O2.CH2O3/c1-3-2;1-2(3)4;2-1(3)4/h3H,1H2,2H3;1H3,(H,3,4);(H2,2,3,4)
InChIKeyHXYQOAGYQWUYQH-UHFFFAOYSA-N
MW164.16 g/mol
LogP1.51
Rot. Bonds

About acetic acid;carbonic acid;prop-1-ene

acetic acid;carbonic acid;prop-1-ene (PubChem CID 87718804) has the molecular formula C6H12O5 and a molecular weight of 164.16 g/mol. Its IUPAC name is acetic acid;carbonic acid;prop-1-ene.

Molecular Properties

Compound Nameacetic acid;carbonic acid;prop-1-ene
PubChem CID87718804
Molecular FormulaC6H12O5
Molecular Weight164.16 g/mol
Exact Mass164.07
IUPAC Nameacetic acid;carbonic acid;prop-1-ene
SMILESC=CC.CC(=O)O.O=C(O)O
InChIInChI=1S/C3H6.C2H4O2.CH2O3/c1-3-2;1-2(3)4;2-1(3)4/h3H,1H2,2H3;1H3,(H,3,4);(H2,2,3,4)
InChIKeyHXYQOAGYQWUYQH-UHFFFAOYSA-N
XLogP1.51
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze acetic acid;carbonic acid;prop-1-ene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of acetic acid;carbonic acid;prop-1-ene?
The IUPAC name of acetic acid;carbonic acid;prop-1-ene (CID 87718804) is acetic acid;carbonic acid;prop-1-ene.
What is the SMILES notation for acetic acid;carbonic acid;prop-1-ene?
The canonical SMILES for acetic acid;carbonic acid;prop-1-ene is C=CC.CC(=O)O.O=C(O)O.
What is the InChIKey of acetic acid;carbonic acid;prop-1-ene?
The InChIKey is HXYQOAGYQWUYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6.C2H4O2.CH2O3/c1-3-2;1-2(3)4;2-1(3)4/h3H,1H2,2H3;1H3,(H,3,4);(H2,2,3,4).
What are the key properties of acetic acid;carbonic acid;prop-1-ene?
acetic acid;carbonic acid;prop-1-ene has a molecular weight of 164.16 g/mol, XLogP of 1.51, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;carbonic acid;prop-1-ene is sourced from PubChem (CID 87718804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).