ethanol;oxane

C17H36O4 — CID 68981478

IUPACethanol;oxane
SMILESC1CCOCC1.C1CCOCC1.C1CCOCC1.CCO
InChIInChI=1S/3C5H10O.C2H6O/c3*1-2-4-6-5-3-1;1-2-3/h3*1-5H2;3H,2H2,1H3
InChIKeyVAMMMEOYYVUDGG-UHFFFAOYSA-N
MW304.47 g/mol
LogP3.56
Rot. Bonds

About ethanol;oxane

ethanol;oxane (PubChem CID 68981478) has the molecular formula C17H36O4 and a molecular weight of 304.47 g/mol. Its IUPAC name is ethanol;oxane.

Molecular Properties

Compound Nameethanol;oxane
PubChem CID68981478
Molecular FormulaC17H36O4
Molecular Weight304.47 g/mol
Exact Mass304.26
IUPAC Nameethanol;oxane
SMILESC1CCOCC1.C1CCOCC1.C1CCOCC1.CCO
InChIInChI=1S/3C5H10O.C2H6O/c3*1-2-4-6-5-3-1;1-2-3/h3*1-5H2;3H,2H2,1H3
InChIKeyVAMMMEOYYVUDGG-UHFFFAOYSA-N
XLogP3.56
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.47
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethanol;oxane?
The IUPAC name of ethanol;oxane (CID 68981478) is ethanol;oxane.
What is the SMILES notation for ethanol;oxane?
The canonical SMILES for ethanol;oxane is C1CCOCC1.C1CCOCC1.C1CCOCC1.CCO.
What is the InChIKey of ethanol;oxane?
The InChIKey is VAMMMEOYYVUDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C5H10O.C2H6O/c3*1-2-4-6-5-3-1;1-2-3/h3*1-5H2;3H,2H2,1H3.
What are the key properties of ethanol;oxane?
ethanol;oxane has a molecular weight of 304.47 g/mol, XLogP of 3.56, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;oxane is sourced from PubChem (CID 68981478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).