ethane-1,2-diol;methoxymethanediol

C4H12O5 — CID 88839057

IUPACethane-1,2-diol;methoxymethanediol
SMILESCOC(O)O.OCCO
InChIInChI=1S/C2H6O3.C2H6O2/c1-5-2(3)4;3-1-2-4/h2-4H,1H3;3-4H,1-2H2
InChIKeyPKFWFAJEJALKKZ-UHFFFAOYSA-N
MW140.13 g/mol
LogP-2.13
Rot. Bonds2

About ethane-1,2-diol;methoxymethanediol

ethane-1,2-diol;methoxymethanediol (PubChem CID 88839057) has the molecular formula C4H12O5 and a molecular weight of 140.13 g/mol. Its IUPAC name is ethane-1,2-diol;methoxymethanediol.

Molecular Properties

Compound Nameethane-1,2-diol;methoxymethanediol
PubChem CID88839057
Molecular FormulaC4H12O5
Molecular Weight140.13 g/mol
Exact Mass140.07
IUPAC Nameethane-1,2-diol;methoxymethanediol
SMILESCOC(O)O.OCCO
InChIInChI=1S/C2H6O3.C2H6O2/c1-5-2(3)4;3-1-2-4/h2-4H,1H3;3-4H,1-2H2
InChIKeyPKFWFAJEJALKKZ-UHFFFAOYSA-N
XLogP-2.13
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.13
LogP ≤ 5-2.13
H-Bond Donors ≤ 54
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

methanol;methoxymethanediol
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ethane-1,1,1-triol;methoxymethanediol
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CID 173052211
2-[hydroxy(methoxy)methoxy]ethanol
CID 88839058
ethane-1,2-diol;ethanol;propan-2-ol
CID 172702663
ethane-1,2-diol;ruthenium;trihydrochloride
CID 174394389
dimethyl carbonate;ethane-1,2-diol;ethene
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5,5-dimethoxypentane-1,3-diol
CID 57301339
ethane-1,2-diol;methane;propane-1,2-diol
CID 157128213
(2S,3R)-2,3-dimethoxybutane-1,4-diol
CID 119097957
methoxymethane;propane-1,2-diol
CID 23435252
lanthanum;2-methoxyethanol;propan-2-ol
CID 161158701

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;methoxymethanediol?
The IUPAC name of ethane-1,2-diol;methoxymethanediol (CID 88839057) is ethane-1,2-diol;methoxymethanediol.
What is the SMILES notation for ethane-1,2-diol;methoxymethanediol?
The canonical SMILES for ethane-1,2-diol;methoxymethanediol is COC(O)O.OCCO.
What is the InChIKey of ethane-1,2-diol;methoxymethanediol?
The InChIKey is PKFWFAJEJALKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O3.C2H6O2/c1-5-2(3)4;3-1-2-4/h2-4H,1H3;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;methoxymethanediol?
ethane-1,2-diol;methoxymethanediol has a molecular weight of 140.13 g/mol, XLogP of -2.13, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;methoxymethanediol is sourced from PubChem (CID 88839057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).