acetic acid;1,1,1-triethoxyethane

C10H22O5 — CID 90101940

IUPACacetic acid;1,1,1-triethoxyethane
SMILESCC(=O)O.CCOC(C)(OCC)OCC
InChIInChI=1S/C8H18O3.C2H4O2/c1-5-9-8(4,10-6-2)11-7-3;1-2(3)4/h5-7H2,1-4H3;1H3,(H,3,4)
InChIKeyMZNRXJVCNPTKSP-UHFFFAOYSA-N
MW222.28 g/mol
LogP1.86
Rot. Bonds6

About acetic acid;1,1,1-triethoxyethane

acetic acid;1,1,1-triethoxyethane (PubChem CID 90101940) has the molecular formula C10H22O5 and a molecular weight of 222.28 g/mol. Its IUPAC name is acetic acid;1,1,1-triethoxyethane.

Molecular Properties

Compound Nameacetic acid;1,1,1-triethoxyethane
PubChem CID90101940
Molecular FormulaC10H22O5
Molecular Weight222.28 g/mol
Exact Mass222.15
IUPAC Nameacetic acid;1,1,1-triethoxyethane
SMILESCC(=O)O.CCOC(C)(OCC)OCC
InChIInChI=1S/C8H18O3.C2H4O2/c1-5-9-8(4,10-6-2)11-7-3;1-2(3)4/h5-7H2,1-4H3;1H3,(H,3,4)
InChIKeyMZNRXJVCNPTKSP-UHFFFAOYSA-N
XLogP1.86
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetic acid;1,1,1-triethoxyethane?
The IUPAC name of acetic acid;1,1,1-triethoxyethane (CID 90101940) is acetic acid;1,1,1-triethoxyethane.
What is the SMILES notation for acetic acid;1,1,1-triethoxyethane?
The canonical SMILES for acetic acid;1,1,1-triethoxyethane is CC(=O)O.CCOC(C)(OCC)OCC.
What is the InChIKey of acetic acid;1,1,1-triethoxyethane?
The InChIKey is MZNRXJVCNPTKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3.C2H4O2/c1-5-9-8(4,10-6-2)11-7-3;1-2(3)4/h5-7H2,1-4H3;1H3,(H,3,4).
What are the key properties of acetic acid;1,1,1-triethoxyethane?
acetic acid;1,1,1-triethoxyethane has a molecular weight of 222.28 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1,1,1-triethoxyethane is sourced from PubChem (CID 90101940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).