acetic acid;cyclopentanone;methoxymethane;propane-1,2-diol

C12H26O6 — CID 174875067

IUPACacetic acid;cyclopentanone;methoxymethane;propane-1,2-diol
SMILESCC(=O)O.CC(O)CO.COC.O=C1CCCC1
InChIInChI=1S/C5H8O.C3H8O2.C2H4O2.C2H6O/c6-5-3-1-2-4-5;1-3(5)2-4;1-2(3)4;1-3-2/h1-4H2;3-5H,2H2,1H3;1H3,(H,3,4);1-2H3
InChIKeyHIZCFBJLJKPYRK-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.84
Rot. Bonds1

About acetic acid;cyclopentanone;methoxymethane;propane-1,2-diol

acetic acid;cyclopentanone;methoxymethane;propane-1,2-diol (PubChem CID 174875067) has the molecular formula C12H26O6 and a molecular weight of 266.33 g/mol. Its IUPAC name is acetic acid;cyclopentanone;methoxymethane;propane-1,2-diol.

Molecular Properties

Compound Nameacetic acid;cyclopentanone;methoxymethane;propane-1,2-diol
PubChem CID174875067
Molecular FormulaC12H26O6
Molecular Weight266.33 g/mol
Exact Mass266.17
IUPAC Nameacetic acid;cyclopentanone;methoxymethane;propane-1,2-diol
SMILESCC(=O)O.CC(O)CO.COC.O=C1CCCC1
InChIInChI=1S/C5H8O.C3H8O2.C2H4O2.C2H6O/c6-5-3-1-2-4-5;1-3(5)2-4;1-2(3)4;1-3-2/h1-4H2;3-5H,2H2,1H3;1H3,(H,3,4);1-2H3
InChIKeyHIZCFBJLJKPYRK-UHFFFAOYSA-N
XLogP0.84
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of acetic acid;cyclopentanone;methoxymethane;propane-1,2-diol?
The IUPAC name of acetic acid;cyclopentanone;methoxymethane;propane-1,2-diol (CID 174875067) is acetic acid;cyclopentanone;methoxymethane;propane-1,2-diol.
What is the SMILES notation for acetic acid;cyclopentanone;methoxymethane;propane-1,2-diol?
The canonical SMILES for acetic acid;cyclopentanone;methoxymethane;propane-1,2-diol is CC(=O)O.CC(O)CO.COC.O=C1CCCC1.
What is the InChIKey of acetic acid;cyclopentanone;methoxymethane;propane-1,2-diol?
The InChIKey is HIZCFBJLJKPYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O.C3H8O2.C2H4O2.C2H6O/c6-5-3-1-2-4-5;1-3(5)2-4;1-2(3)4;1-3-2/h1-4H2;3-5H,2H2,1H3;1H3,(H,3,4);1-2H3.
What are the key properties of acetic acid;cyclopentanone;methoxymethane;propane-1,2-diol?
acetic acid;cyclopentanone;methoxymethane;propane-1,2-diol has a molecular weight of 266.33 g/mol, XLogP of 0.84, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;cyclopentanone;methoxymethane;propane-1,2-diol is sourced from PubChem (CID 174875067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).