acetic acid;ethene

C10H20O6 — CID 172797220

IUPACacetic acid;ethene
SMILESC=C.C=C.CC(=O)O.CC(=O)O.CC(=O)O
InChIInChI=1S/3C2H4O2.2C2H4/c3*1-2(3)4;2*1-2/h3*1H3,(H,3,4);2*1-2H2
InChIKeyQJHFCNYDQJIHKE-UHFFFAOYSA-N
MW236.26 g/mol
LogP1.88
Rot. Bonds

About acetic acid;ethene

acetic acid;ethene (PubChem CID 172797220) has the molecular formula C10H20O6 and a molecular weight of 236.26 g/mol. Its IUPAC name is acetic acid;ethene.

Molecular Properties

Compound Nameacetic acid;ethene
PubChem CID172797220
Molecular FormulaC10H20O6
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Nameacetic acid;ethene
SMILESC=C.C=C.CC(=O)O.CC(=O)O.CC(=O)O
InChIInChI=1S/3C2H4O2.2C2H4/c3*1-2(3)4;2*1-2/h3*1H3,(H,3,4);2*1-2H2
InChIKeyQJHFCNYDQJIHKE-UHFFFAOYSA-N
XLogP1.88
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;azane;ethene;iron
CID 173116403
acetic acid;benzene;ethene
CID 70594790
acetic acid
CID 158444727
acetic acid;ethene;molecular hydrogen;dihydrate
CID 158162116
tetrapotassium;acetic acid;azane;ethene;hydride
CID 173168116
acetic acid;2-methylprop-1-ene
CID 139328555
acetic acid;formaldehyde;hydrate
CID 19350045
acetic acid;ethane
CID 173070051
acetic acid;cobalt
CID 54602348
acetic acid;cadmium
CID 2514
acetic acid;decahydrate
CID 163997764
acetic acid;carbonic acid
CID 157418112

Frequently Asked Questions

What is the IUPAC name of acetic acid;ethene?
The IUPAC name of acetic acid;ethene (CID 172797220) is acetic acid;ethene.
What is the SMILES notation for acetic acid;ethene?
The canonical SMILES for acetic acid;ethene is C=C.C=C.CC(=O)O.CC(=O)O.CC(=O)O.
What is the InChIKey of acetic acid;ethene?
The InChIKey is QJHFCNYDQJIHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C2H4O2.2C2H4/c3*1-2(3)4;2*1-2/h3*1H3,(H,3,4);2*1-2H2.
What are the key properties of acetic acid;ethene?
acetic acid;ethene has a molecular weight of 236.26 g/mol, XLogP of 1.88, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;ethene is sourced from PubChem (CID 172797220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).