ethanol;3-ethyloxolane;methane

C9H22O2 — CID 143758697

IUPACethanol;3-ethyloxolane;methane
SMILESC.CCC1CCOC1.CCO
InChIInChI=1S/C6H12O.C2H6O.CH4/c1-2-6-3-4-7-5-6;1-2-3;/h6H,2-5H2,1H3;3H,2H2,1H3;1H4
InChIKeyDGZVXLDCFJQCCY-UHFFFAOYSA-N
MW162.27 g/mol
LogP2.07
Rot. Bonds1

About ethanol;3-ethyloxolane;methane

ethanol;3-ethyloxolane;methane (PubChem CID 143758697) has the molecular formula C9H22O2 and a molecular weight of 162.27 g/mol. Its IUPAC name is ethanol;3-ethyloxolane;methane.

Molecular Properties

Compound Nameethanol;3-ethyloxolane;methane
PubChem CID143758697
Molecular FormulaC9H22O2
Molecular Weight162.27 g/mol
Exact Mass162.16
IUPAC Nameethanol;3-ethyloxolane;methane
SMILESC.CCC1CCOC1.CCO
InChIInChI=1S/C6H12O.C2H6O.CH4/c1-2-6-3-4-7-5-6;1-2-3;/h6H,2-5H2,1H3;3H,2H2,1H3;1H4
InChIKeyDGZVXLDCFJQCCY-UHFFFAOYSA-N
XLogP2.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethanol;3-ethyloxolane;methane?
The IUPAC name of ethanol;3-ethyloxolane;methane (CID 143758697) is ethanol;3-ethyloxolane;methane.
What is the SMILES notation for ethanol;3-ethyloxolane;methane?
The canonical SMILES for ethanol;3-ethyloxolane;methane is C.CCC1CCOC1.CCO.
What is the InChIKey of ethanol;3-ethyloxolane;methane?
The InChIKey is DGZVXLDCFJQCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.C2H6O.CH4/c1-2-6-3-4-7-5-6;1-2-3;/h6H,2-5H2,1H3;3H,2H2,1H3;1H4.
What are the key properties of ethanol;3-ethyloxolane;methane?
ethanol;3-ethyloxolane;methane has a molecular weight of 162.27 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;3-ethyloxolane;methane is sourced from PubChem (CID 143758697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).