acetic acid;3-methoxypropane-1,2-diol

C6H14O5 — CID 71422269

IUPACacetic acid;3-methoxypropane-1,2-diol
SMILESCC(=O)O.COCC(O)CO
InChIInChI=1S/C4H10O3.C2H4O2/c1-7-3-4(6)2-5;1-2(3)4/h4-6H,2-3H2,1H3;1H3,(H,3,4)
InChIKeyWLGNMJPVQDHVDT-UHFFFAOYSA-N
MW166.17 g/mol
LogP-0.92
Rot. Bonds3

About acetic acid;3-methoxypropane-1,2-diol

acetic acid;3-methoxypropane-1,2-diol (PubChem CID 71422269) has the molecular formula C6H14O5 and a molecular weight of 166.17 g/mol. Its IUPAC name is acetic acid;3-methoxypropane-1,2-diol.

Molecular Properties

Compound Nameacetic acid;3-methoxypropane-1,2-diol
PubChem CID71422269
Molecular FormulaC6H14O5
Molecular Weight166.17 g/mol
Exact Mass166.08
IUPAC Nameacetic acid;3-methoxypropane-1,2-diol
SMILESCC(=O)O.COCC(O)CO
InChIInChI=1S/C4H10O3.C2H4O2/c1-7-3-4(6)2-5;1-2(3)4/h4-6H,2-3H2,1H3;1H3,(H,3,4)
InChIKeyWLGNMJPVQDHVDT-UHFFFAOYSA-N
XLogP-0.92
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.17
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxypropane-1,2-diol;dihydrochloride
CID 87908148
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methane;methoxymethanol;3-methoxypropane-1,2-diol
CID 159796691
acetic acid;propane-1,2,3-triol;propan-2-one
CID 158983887
(2R,5S)-6-methoxyhexane-1,2,5-triol
CID 130342864
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane-1,2-diol
CID 88556608
acetic acid;ethane-1,2-diol;propane-1,2,3-triol
CID 174966848
(3S)-3-hydroxy-4-methoxybutanoic acid
CID 124506936
acetic acid;butane-1,2-diol
CID 71357816
copper;2,3-dihydroxypropyl acetate
CID 175414462
acetic acid;methanol;methoxymethane;propane-1,2-diol
CID 174829154
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CID 158327345

Frequently Asked Questions

What is the IUPAC name of acetic acid;3-methoxypropane-1,2-diol?
The IUPAC name of acetic acid;3-methoxypropane-1,2-diol (CID 71422269) is acetic acid;3-methoxypropane-1,2-diol.
What is the SMILES notation for acetic acid;3-methoxypropane-1,2-diol?
The canonical SMILES for acetic acid;3-methoxypropane-1,2-diol is CC(=O)O.COCC(O)CO.
What is the InChIKey of acetic acid;3-methoxypropane-1,2-diol?
The InChIKey is WLGNMJPVQDHVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O3.C2H4O2/c1-7-3-4(6)2-5;1-2(3)4/h4-6H,2-3H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;3-methoxypropane-1,2-diol?
acetic acid;3-methoxypropane-1,2-diol has a molecular weight of 166.17 g/mol, XLogP of -0.92, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;3-methoxypropane-1,2-diol is sourced from PubChem (CID 71422269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).