ethane-1,2-diol;ethoxyethane;propyl acetate

C11H26O5 — CID 87069783

IUPACethane-1,2-diol;ethoxyethane;propyl acetate
SMILESCCCOC(C)=O.CCOCC.OCCO
InChIInChI=1S/C5H10O2.C4H10O.C2H6O2/c1-3-4-7-5(2)6;1-3-5-4-2;3-1-2-4/h3-4H2,1-2H3;3-4H2,1-2H3;3-4H,1-2H2
InChIKeyBFVDVSWMTKBGGI-UHFFFAOYSA-N
MW238.32 g/mol
LogP0.97
Rot. Bonds5

About ethane-1,2-diol;ethoxyethane;propyl acetate

ethane-1,2-diol;ethoxyethane;propyl acetate (PubChem CID 87069783) has the molecular formula C11H26O5 and a molecular weight of 238.32 g/mol. Its IUPAC name is ethane-1,2-diol;ethoxyethane;propyl acetate.

Molecular Properties

Compound Nameethane-1,2-diol;ethoxyethane;propyl acetate
PubChem CID87069783
Molecular FormulaC11H26O5
Molecular Weight238.32 g/mol
Exact Mass238.18
IUPAC Nameethane-1,2-diol;ethoxyethane;propyl acetate
SMILESCCCOC(C)=O.CCOCC.OCCO
InChIInChI=1S/C5H10O2.C4H10O.C2H6O2/c1-3-4-7-5(2)6;1-3-5-4-2;3-1-2-4/h3-4H2,1-2H3;3-4H2,1-2H3;3-4H,1-2H2
InChIKeyBFVDVSWMTKBGGI-UHFFFAOYSA-N
XLogP0.97
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

propan-1-ol;propyl acetate;hydrate
CID 158673261
ethane-1,2-diol;ethoxyethane;2-methoxyethanol;prop-1-ene;propyl acetate
CID 172999009
dodecyl acetate;ethane-1,2-diol;ethanol;ethoxyethane
CID 173341156
1-(2-ethoxyethoxy)propane;2-hydroxyethyl acetate
CID 90282040
propyl acetate;hydrate
CID 122690555
butyl acetate;ethoxyethane;2-(2-hydroxyethoxy)ethanol
CID 87066406
butyl acetate;ethane-1,2-diol;ethoxyethane;prop-1-ene
CID 173003684
2-(2-ethoxyethoxy)ethyl acetate;2-(2-propoxyethoxy)ethyl acetate
CID 162060487
butyl acetate;2-ethoxyethanol
CID 87069038
2-[2-(2-hydroxyethoxy)ethoxy]ethyl acetate;1-propoxypropane
CID 87238314
butan-1-ol;ethoxyethane;ethyl acetate
CID 87367562
ethoxyethane;ethyl acetate
CID 87087849

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;ethoxyethane;propyl acetate?
The IUPAC name of ethane-1,2-diol;ethoxyethane;propyl acetate (CID 87069783) is ethane-1,2-diol;ethoxyethane;propyl acetate.
What is the SMILES notation for ethane-1,2-diol;ethoxyethane;propyl acetate?
The canonical SMILES for ethane-1,2-diol;ethoxyethane;propyl acetate is CCCOC(C)=O.CCOCC.OCCO.
What is the InChIKey of ethane-1,2-diol;ethoxyethane;propyl acetate?
The InChIKey is BFVDVSWMTKBGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.C4H10O.C2H6O2/c1-3-4-7-5(2)6;1-3-5-4-2;3-1-2-4/h3-4H2,1-2H3;3-4H2,1-2H3;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;ethoxyethane;propyl acetate?
ethane-1,2-diol;ethoxyethane;propyl acetate has a molecular weight of 238.32 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;ethoxyethane;propyl acetate is sourced from PubChem (CID 87069783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).