ethane-1,2-diol;methane;propane-1,2-diol

C6H18O4 — CID 157128213

IUPACethane-1,2-diol;methane;propane-1,2-diol
SMILESC.CC(O)CO.OCCO
InChIInChI=1S/C3H8O2.C2H6O2.CH4/c1-3(5)2-4;3-1-2-4;/h3-5H,2H2,1H3;3-4H,1-2H2;1H4
InChIKeyKHIOYYDPROMQJD-UHFFFAOYSA-N
MW154.21 g/mol
LogP-1.03
Rot. Bonds2

About ethane-1,2-diol;methane;propane-1,2-diol

ethane-1,2-diol;methane;propane-1,2-diol (PubChem CID 157128213) has the molecular formula C6H18O4 and a molecular weight of 154.21 g/mol. Its IUPAC name is ethane-1,2-diol;methane;propane-1,2-diol.

Molecular Properties

Compound Nameethane-1,2-diol;methane;propane-1,2-diol
PubChem CID157128213
Molecular FormulaC6H18O4
Molecular Weight154.21 g/mol
Exact Mass154.12
IUPAC Nameethane-1,2-diol;methane;propane-1,2-diol
SMILESC.CC(O)CO.OCCO
InChIInChI=1S/C3H8O2.C2H6O2.CH4/c1-3(5)2-4;3-1-2-4;/h3-5H,2H2,1H3;3-4H,1-2H2;1H4
InChIKeyKHIOYYDPROMQJD-UHFFFAOYSA-N
XLogP-1.03
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 5-1.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 175558536
propane-1,2-diol;trihydrochloride;dihydrofluoride
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CID 88632623
CID 158929584
CID 158929584
chloroform;propane-1,2-diol
CID 159626759
methoxymethane;propane-1,2-diol
CID 23435252
propane-1,2-diol;1,1,2,2-tetrafluoroethene
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Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;methane;propane-1,2-diol?
The IUPAC name of ethane-1,2-diol;methane;propane-1,2-diol (CID 157128213) is ethane-1,2-diol;methane;propane-1,2-diol.
What is the SMILES notation for ethane-1,2-diol;methane;propane-1,2-diol?
The canonical SMILES for ethane-1,2-diol;methane;propane-1,2-diol is C.CC(O)CO.OCCO.
What is the InChIKey of ethane-1,2-diol;methane;propane-1,2-diol?
The InChIKey is KHIOYYDPROMQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O2.C2H6O2.CH4/c1-3(5)2-4;3-1-2-4;/h3-5H,2H2,1H3;3-4H,1-2H2;1H4.
What are the key properties of ethane-1,2-diol;methane;propane-1,2-diol?
ethane-1,2-diol;methane;propane-1,2-diol has a molecular weight of 154.21 g/mol, XLogP of -1.03, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;methane;propane-1,2-diol is sourced from PubChem (CID 157128213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).