methoxymethane;1-methoxypropan-2-ol;propane-1,1-diol

C9H24O5 — CID 175057633

IUPACmethoxymethane;1-methoxypropan-2-ol;propane-1,1-diol
SMILESCCC(O)O.COC.COCC(C)O
InChIInChI=1S/C4H10O2.C3H8O2.C2H6O/c1-4(5)3-6-2;1-2-3(4)5;1-3-2/h4-5H,3H2,1-2H3;3-5H,2H2,1H3;1-2H3
InChIKeyGSCIVHRJVROAAB-UHFFFAOYSA-N
MW212.29 g/mol
LogP-0.02
Rot. Bonds3

About methoxymethane;1-methoxypropan-2-ol;propane-1,1-diol

methoxymethane;1-methoxypropan-2-ol;propane-1,1-diol (PubChem CID 175057633) has the molecular formula C9H24O5 and a molecular weight of 212.29 g/mol. Its IUPAC name is methoxymethane;1-methoxypropan-2-ol;propane-1,1-diol.

Molecular Properties

Compound Namemethoxymethane;1-methoxypropan-2-ol;propane-1,1-diol
PubChem CID175057633
Molecular FormulaC9H24O5
Molecular Weight212.29 g/mol
Exact Mass212.16
IUPAC Namemethoxymethane;1-methoxypropan-2-ol;propane-1,1-diol
SMILESCCC(O)O.COC.COCC(C)O
InChIInChI=1S/C4H10O2.C3H8O2.C2H6O/c1-4(5)3-6-2;1-2-3(4)5;1-3-2/h4-5H,3H2,1-2H3;3-5H,2H2,1H3;1-2H3
InChIKeyGSCIVHRJVROAAB-UHFFFAOYSA-N
XLogP-0.02
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 5-0.02
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

1-methoxypropan-2-ol;propane
CID 159966080
1-methoxypropan-2-ol chloride
CID 23303898
1-methoxypropan-2-ol;tris(prop-1-ene)
CID 162146240
1-methoxypropane;propane-1,1-diol
CID 174611080
hexan-1-ol;1-methoxypropan-2-ol
CID 87087697
1-[2-(1-methoxypropan-2-yloxy)ethoxy]propan-2-ol
CID 18709988
methane;1-methoxybutan-2-ol
CID 161499525
cyclopentanone;1-methoxypropan-2-ol
CID 141468485
methane;propane-1,1-diol
CID 157390682
(2S)-1-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol
CID 103935012
methoxymethane;propane-1,1-diol;propanoic acid
CID 174468940
3-ethyl-1-methoxypentan-2-ol
CID 79568083

Frequently Asked Questions

What is the IUPAC name of methoxymethane;1-methoxypropan-2-ol;propane-1,1-diol?
The IUPAC name of methoxymethane;1-methoxypropan-2-ol;propane-1,1-diol (CID 175057633) is methoxymethane;1-methoxypropan-2-ol;propane-1,1-diol.
What is the SMILES notation for methoxymethane;1-methoxypropan-2-ol;propane-1,1-diol?
The canonical SMILES for methoxymethane;1-methoxypropan-2-ol;propane-1,1-diol is CCC(O)O.COC.COCC(C)O.
What is the InChIKey of methoxymethane;1-methoxypropan-2-ol;propane-1,1-diol?
The InChIKey is GSCIVHRJVROAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2.C3H8O2.C2H6O/c1-4(5)3-6-2;1-2-3(4)5;1-3-2/h4-5H,3H2,1-2H3;3-5H,2H2,1H3;1-2H3.
What are the key properties of methoxymethane;1-methoxypropan-2-ol;propane-1,1-diol?
methoxymethane;1-methoxypropan-2-ol;propane-1,1-diol has a molecular weight of 212.29 g/mol, XLogP of -0.02, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethane;1-methoxypropan-2-ol;propane-1,1-diol is sourced from PubChem (CID 175057633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).