1,2-dimethoxyethane;propane-1,2-diol

C7H18O4 — CID 87359366

IUPAC1,2-dimethoxyethane;propane-1,2-diol
SMILESCC(O)CO.COCCOC
InChIInChI=1S/C4H10O2.C3H8O2/c1-5-3-4-6-2;1-3(5)2-4/h3-4H2,1-2H3;3-5H,2H2,1H3
InChIKeyYQNDVQRRTGSQEZ-UHFFFAOYSA-N
MW166.22 g/mol
LogP-0.36
Rot. Bonds4

About 1,2-dimethoxyethane;propane-1,2-diol

1,2-dimethoxyethane;propane-1,2-diol (PubChem CID 87359366) has the molecular formula C7H18O4 and a molecular weight of 166.22 g/mol. Its IUPAC name is 1,2-dimethoxyethane;propane-1,2-diol.

Molecular Properties

Compound Name1,2-dimethoxyethane;propane-1,2-diol
PubChem CID87359366
Molecular FormulaC7H18O4
Molecular Weight166.22 g/mol
Exact Mass166.12
IUPAC Name1,2-dimethoxyethane;propane-1,2-diol
SMILESCC(O)CO.COCCOC
InChIInChI=1S/C4H10O2.C3H8O2/c1-5-3-4-6-2;1-3(5)2-4/h3-4H2,1-2H3;3-5H,2H2,1H3
InChIKeyYQNDVQRRTGSQEZ-UHFFFAOYSA-N
XLogP-0.36
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methoxymethane;propane-1,2-diol
CID 23435252
propane-1,2-diol
CID 23506506
sodium;hydride;methoxymethane;propane-1,2-diol
CID 174416744
hydroxymethoxymethanol;propane-1,2-diol
CID 87307826
CID 160650971
CID 160650971
propane-1,2-diol;silver
CID 158521790
acetic acid;methanol;methoxymethane;propane-1,2-diol
CID 174829154
(2R)-2-(2-methoxyethoxy)propan-1-ol
CID 118089106
1-methoxy-2-(2-methoxyethoxy)ethane;propane-1,2,3-triol
CID 162081767
carbonic acid;(2S)-propane-1,2-diol
CID 70700046
ethane-1,2-diamine;tetrakis(propane-1,2-diol)
CID 19100522
lanthanum;2-methoxyethanol;propan-2-ol
CID 161158701

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxyethane;propane-1,2-diol?
The IUPAC name of 1,2-dimethoxyethane;propane-1,2-diol (CID 87359366) is 1,2-dimethoxyethane;propane-1,2-diol.
What is the SMILES notation for 1,2-dimethoxyethane;propane-1,2-diol?
The canonical SMILES for 1,2-dimethoxyethane;propane-1,2-diol is CC(O)CO.COCCOC.
What is the InChIKey of 1,2-dimethoxyethane;propane-1,2-diol?
The InChIKey is YQNDVQRRTGSQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2.C3H8O2/c1-5-3-4-6-2;1-3(5)2-4/h3-4H2,1-2H3;3-5H,2H2,1H3.
What are the key properties of 1,2-dimethoxyethane;propane-1,2-diol?
1,2-dimethoxyethane;propane-1,2-diol has a molecular weight of 166.22 g/mol, XLogP of -0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxyethane;propane-1,2-diol is sourced from PubChem (CID 87359366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).