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

C13H28O6 — CID 174891173

IUPACacetic acid;cyclohexanone;methoxymethane;propane-1,2-diol
SMILESCC(=O)O.CC(O)CO.COC.O=C1CCCCC1
InChIInChI=1S/C6H10O.C3H8O2.C2H4O2.C2H6O/c7-6-4-2-1-3-5-6;1-3(5)2-4;1-2(3)4;1-3-2/h1-5H2;3-5H,2H2,1H3;1H3,(H,3,4);1-2H3
InChIKeyNDZBRELZXGPLPM-UHFFFAOYSA-N
MW280.36 g/mol
LogP1.23
Rot. Bonds1

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

acetic acid;cyclohexanone;methoxymethane;propane-1,2-diol (PubChem CID 174891173) has the molecular formula C13H28O6 and a molecular weight of 280.36 g/mol. Its IUPAC name is acetic acid;cyclohexanone;methoxymethane;propane-1,2-diol.

Molecular Properties

Compound Nameacetic acid;cyclohexanone;methoxymethane;propane-1,2-diol
PubChem CID174891173
Molecular FormulaC13H28O6
Molecular Weight280.36 g/mol
Exact Mass280.19
IUPAC Nameacetic acid;cyclohexanone;methoxymethane;propane-1,2-diol
SMILESCC(=O)O.CC(O)CO.COC.O=C1CCCCC1
InChIInChI=1S/C6H10O.C3H8O2.C2H4O2.C2H6O/c7-6-4-2-1-3-5-6;1-3(5)2-4;1-2(3)4;1-3-2/h1-5H2;3-5H,2H2,1H3;1H3,(H,3,4);1-2H3
InChIKeyNDZBRELZXGPLPM-UHFFFAOYSA-N
XLogP1.23
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Cyclohexanone;propane-1,2,3-triol
CID 18950040
Cyclohexanol;dimethyl hexanedioate
CID 19805859
Cyclohexanone;ethyl 2-hydroxypropanoate
CID 22290081
Cyclohexanone;1-methoxypropan-2-ol;3-methoxypropyl acetate
CID 66905308
Cyclohexanone;2-hydroxypropanoic acid
CID 68006161
Cyclohexanone;ethoxyethane;ethyl propanoate;propane-1,2-diol
CID 69101169
Cyclohexanone;ethoxyethane;ethyl acetate;propane-1,2-diol
CID 69101208
Cyclohexanone;methyl 2-hydroxypropanoate
CID 69101230
Cyclohexanone;ethoxyethane;2-hydroxypropyl acetate
CID 69601593
2-Acetyloxypropyl acetate;cyclohexanone;2-methoxyethanol
CID 69821002
Cyclohexanone;propane-1,2-diol
CID 118982098
Cyclohexanone;2-(2-methoxypropoxy)propan-1-ol
CID 129216839

Frequently Asked Questions

What is the IUPAC name of acetic acid;cyclohexanone;methoxymethane;propane-1,2-diol?
The IUPAC name of acetic acid;cyclohexanone;methoxymethane;propane-1,2-diol (CID 174891173) is acetic acid;cyclohexanone;methoxymethane;propane-1,2-diol.
What is the SMILES notation for acetic acid;cyclohexanone;methoxymethane;propane-1,2-diol?
The canonical SMILES for acetic acid;cyclohexanone;methoxymethane;propane-1,2-diol is CC(=O)O.CC(O)CO.COC.O=C1CCCCC1.
What is the InChIKey of acetic acid;cyclohexanone;methoxymethane;propane-1,2-diol?
The InChIKey is NDZBRELZXGPLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.C3H8O2.C2H4O2.C2H6O/c7-6-4-2-1-3-5-6;1-3(5)2-4;1-2(3)4;1-3-2/h1-5H2;3-5H,2H2,1H3;1H3,(H,3,4);1-2H3.
What are the key properties of acetic acid;cyclohexanone;methoxymethane;propane-1,2-diol?
acetic acid;cyclohexanone;methoxymethane;propane-1,2-diol has a molecular weight of 280.36 g/mol, XLogP of 1.23, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;cyclohexanone;methoxymethane;propane-1,2-diol is sourced from PubChem (CID 174891173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).