acetic acid;ethane-1,2-diol;propane-1,2,3-triol

C11H26O11 — CID 174966848

IUPACacetic acid;ethane-1,2-diol;propane-1,2,3-triol
SMILESCC(=O)O.CC(=O)O.CC(=O)O.OCC(O)CO.OCCO
InChIInChI=1S/C3H8O3.3C2H4O2.C2H6O2/c4-1-3(6)2-5;3*1-2(3)4;3-1-2-4/h3-6H,1-2H2;3*1H3,(H,3,4);3-4H,1-2H2
InChIKeyUPIYMBYTHAXWQM-UHFFFAOYSA-N
MW334.32 g/mol
LogP-2.42
Rot. Bonds3

About acetic acid;ethane-1,2-diol;propane-1,2,3-triol

acetic acid;ethane-1,2-diol;propane-1,2,3-triol (PubChem CID 174966848) has the molecular formula C11H26O11 and a molecular weight of 334.32 g/mol. Its IUPAC name is acetic acid;ethane-1,2-diol;propane-1,2,3-triol.

Molecular Properties

Compound Nameacetic acid;ethane-1,2-diol;propane-1,2,3-triol
PubChem CID174966848
Molecular FormulaC11H26O11
Molecular Weight334.32 g/mol
Exact Mass334.15
IUPAC Nameacetic acid;ethane-1,2-diol;propane-1,2,3-triol
SMILESCC(=O)O.CC(=O)O.CC(=O)O.OCC(O)CO.OCCO
InChIInChI=1S/C3H8O3.3C2H4O2.C2H6O2/c4-1-3(6)2-5;3*1-2(3)4;3-1-2-4/h3-6H,1-2H2;3*1H3,(H,3,4);3-4H,1-2H2
InChIKeyUPIYMBYTHAXWQM-UHFFFAOYSA-N
XLogP-2.42
TPSA213.05 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.32
LogP ≤ 5-2.42
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 174642069
4,5-dihydroxypentan-2-one;ethane-1,2-diol;propan-2-one
CID 87707653
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CID 161329261
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CID 157221053
propane-1,2,3-triol;propan-2-ol;acetate
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CID 87631073

Frequently Asked Questions

What is the IUPAC name of acetic acid;ethane-1,2-diol;propane-1,2,3-triol?
The IUPAC name of acetic acid;ethane-1,2-diol;propane-1,2,3-triol (CID 174966848) is acetic acid;ethane-1,2-diol;propane-1,2,3-triol.
What is the SMILES notation for acetic acid;ethane-1,2-diol;propane-1,2,3-triol?
The canonical SMILES for acetic acid;ethane-1,2-diol;propane-1,2,3-triol is CC(=O)O.CC(=O)O.CC(=O)O.OCC(O)CO.OCCO.
What is the InChIKey of acetic acid;ethane-1,2-diol;propane-1,2,3-triol?
The InChIKey is UPIYMBYTHAXWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O3.3C2H4O2.C2H6O2/c4-1-3(6)2-5;3*1-2(3)4;3-1-2-4/h3-6H,1-2H2;3*1H3,(H,3,4);3-4H,1-2H2.
What are the key properties of acetic acid;ethane-1,2-diol;propane-1,2,3-triol?
acetic acid;ethane-1,2-diol;propane-1,2,3-triol has a molecular weight of 334.32 g/mol, XLogP of -2.42, 3 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;ethane-1,2-diol;propane-1,2,3-triol is sourced from PubChem (CID 174966848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).