methane;methoxymethanol;3-methoxypropane-1,2-diol

C7H20O5 — CID 159796691

IUPACmethane;methoxymethanol;3-methoxypropane-1,2-diol
SMILESC.COCC(O)CO.COCO
InChIInChI=1S/C4H10O3.C2H6O2.CH4/c1-7-3-4(6)2-5;1-4-2-3;/h4-6H,2-3H2,1H3;3H,2H2,1H3;1H4
InChIKeyNJGKUCABCTZDKE-UHFFFAOYSA-N
MW184.23 g/mol
LogP-0.80
Rot. Bonds4

About methane;methoxymethanol;3-methoxypropane-1,2-diol

methane;methoxymethanol;3-methoxypropane-1,2-diol (PubChem CID 159796691) has the molecular formula C7H20O5 and a molecular weight of 184.23 g/mol. Its IUPAC name is methane;methoxymethanol;3-methoxypropane-1,2-diol.

Molecular Properties

Compound Namemethane;methoxymethanol;3-methoxypropane-1,2-diol
PubChem CID159796691
Molecular FormulaC7H20O5
Molecular Weight184.23 g/mol
Exact Mass184.13
IUPAC Namemethane;methoxymethanol;3-methoxypropane-1,2-diol
SMILESC.COCC(O)CO.COCO
InChIInChI=1S/C4H10O3.C2H6O2.CH4/c1-7-3-4(6)2-5;1-4-2-3;/h4-6H,2-3H2,1H3;3H,2H2,1H3;1H4
InChIKeyNJGKUCABCTZDKE-UHFFFAOYSA-N
XLogP-0.80
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methoxypropane-1,2-diol;dihydrochloride
CID 87908148
acetic acid;3-methoxypropane-1,2-diol
CID 71422269
(2R,5S)-6-methoxyhexane-1,2,5-triol
CID 130342864
(2S)-3-(trideuteriomethoxy)propane-1,2-diol
CID 164541909
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
methane;1-methoxybutan-2-ol
CID 161499525
1,5-dimethoxypentane-2,4-diol
CID 88937884
1-methoxyhexan-2-ol;propane-1,2,3-triol
CID 162066380
6-methoxyhexane-1,2,4,5-tetrol
CID 123365774
(2S)-1-(18F)fluoro-3-methoxypropan-2-ol
CID 122413426
1-fluoro-3-methoxypropan-2-ol
CID 53422469
1-methoxy-2-(2-methoxyethoxy)ethane;propane-1,2,3-triol
CID 162081767

Frequently Asked Questions

What is the IUPAC name of methane;methoxymethanol;3-methoxypropane-1,2-diol?
The IUPAC name of methane;methoxymethanol;3-methoxypropane-1,2-diol (CID 159796691) is methane;methoxymethanol;3-methoxypropane-1,2-diol.
What is the SMILES notation for methane;methoxymethanol;3-methoxypropane-1,2-diol?
The canonical SMILES for methane;methoxymethanol;3-methoxypropane-1,2-diol is C.COCC(O)CO.COCO.
What is the InChIKey of methane;methoxymethanol;3-methoxypropane-1,2-diol?
The InChIKey is NJGKUCABCTZDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O3.C2H6O2.CH4/c1-7-3-4(6)2-5;1-4-2-3;/h4-6H,2-3H2,1H3;3H,2H2,1H3;1H4.
What are the key properties of methane;methoxymethanol;3-methoxypropane-1,2-diol?
methane;methoxymethanol;3-methoxypropane-1,2-diol has a molecular weight of 184.23 g/mol, XLogP of -0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methoxymethanol;3-methoxypropane-1,2-diol is sourced from PubChem (CID 159796691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).